PubChemLite - 1h-imidazole-4-carboxylic acid, 2-tricyclo[3.3.1.13,7]dec-2-yl-, [(1e)-(pentafluorophenyl)methylene]hydrazide (C21H19F5N4O)

Structural Information

Molecular Formula

SMILES

C1C2CC3CC1CC(C2)C3C4=NC=C(N4)C(=O)N/N=C/C5=C(C(=C(C(=C5F)F)F)F)F

InChI

InChI=1S/C21H19F5N4O/c22-15-12(16(23)18(25)19(26)17(15)24)6-28-30-21(31)13-7-27-20(29-13)14-10-2-8-1-9(4-10)5-11(14)3-8/h6-11,14H,1-5H2,(H,27,29)(H,30,31)/b28-6+

InChIKey

HYVOTECLMPLIBY-LYOATTTOSA-N

Compound name

2-(2-adamantyl)-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1H-imidazole-5-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	439.15518	198.1
[M+Na]+	461.13712	202.7
[M-H]-	437.14062	191.7
[M+NH4]+	456.18172	211.6
[M+K]+	477.11106	195.0
[M+H-H2O]+	421.14516	184.9
[M+HCOO]-	483.14610	199.8
[M+CH3COO]-	497.16175	202.1
[M+Na-2H]-	459.12257	198.4
[M]+	438.14735	193.0
[M]-	438.14845	193.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.15518

198.1

[M+Na]+

461.13712

202.7

[M-H]-

437.14062

191.7

[M+NH4]+

456.18172

211.6

[M+K]+

477.11106

195.0

[M+H-H2O]+

421.14516

184.9

[M+HCOO]-

483.14610

199.8

[M+CH3COO]-

497.16175

202.1

[M+Na-2H]-

459.12257

198.4

[M]+

438.14735

193.0

[M]-

438.14845

193.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1h-imidazole-4-carboxylic acid, 2-tricyclo[3.3.1.13,7]dec-2-yl-, [(1e)-(pentafluorophenyl)methylene]hydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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