PubChemLite - 510762-27-3 (C20H23N5O2)

Structural Information

Molecular Formula

SMILES

CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C4CCCCC4)C(=O)NC

InChI

InChI=1S/C20H23N5O2/c1-12-7-6-10-24-17(12)23-18-15(20(24)27)11-14(19(26)22-2)16(21)25(18)13-8-4-3-5-9-13/h6-7,10-11,13,21H,3-5,8-9H2,1-2H3,(H,22,26)

InChIKey

HXLOXKFHTGOELF-UHFFFAOYSA-N

Compound name

7-cyclohexyl-6-imino-N,11-dimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-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]+	366.19246	188.2
[M+Na]+	388.17440	196.7
[M-H]-	364.17790	192.8
[M+NH4]+	383.21900	198.0
[M+K]+	404.14834	189.8
[M+H-H2O]+	348.18244	176.9
[M+HCOO]-	410.18338	204.6
[M+CH3COO]-	424.19903	196.9
[M+Na-2H]-	386.15985	193.0
[M]+	365.18463	186.4
[M]-	365.18573	186.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

366.19246

188.2

[M+Na]+

388.17440

196.7

[M-H]-

364.17790

192.8

[M+NH4]+

383.21900

198.0

[M+K]+

404.14834

189.8

[M+H-H2O]+

348.18244

176.9

[M+HCOO]-

410.18338

204.6

[M+CH3COO]-

424.19903

196.9

[M+Na-2H]-

386.15985

193.0

[M]+

365.18463

186.4

[M]-

365.18573

186.4

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

510762-27-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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