PubChemLite - Isopyrazam (C20H23F2N3O)

Structural Information

Molecular Formula

SMILES

CC(C)C1C2CCC1C3=C2C=CC=C3NC(=O)C4=CN(N=C4C(F)F)C

InChI

InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)

InChIKey

XTDZGXBTXBEZDN-UHFFFAOYSA-N

Compound name

3-(difluoromethyl)-1-methyl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-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]+	360.18818	187.4
[M+Na]+	382.17012	194.7
[M-H]-	358.17362	190.5
[M+NH4]+	377.21472	205.4
[M+K]+	398.14406	189.9
[M+H-H2O]+	342.17816	179.4
[M+HCOO]-	404.17910	202.3
[M+CH3COO]-	418.19475	196.8
[M+Na-2H]-	380.15557	181.3
[M]+	359.18035	187.0
[M]-	359.18145	187.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

360.18818

187.4

[M+Na]+

382.17012

194.7

[M-H]-

358.17362

190.5

[M+NH4]+

377.21472

205.4

[M+K]+

398.14406

189.9

[M+H-H2O]+

342.17816

179.4

[M+HCOO]-

404.17910

202.3

[M+CH3COO]-

418.19475

196.8

[M+Na-2H]-

380.15557

181.3

[M]+

359.18035

187.0

[M]-

359.18145

187.0

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

Isopyrazam

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe