CID 508487

Schembl7079281

Structural Information

Molecular Formula
C20H21N7O
SMILES
CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)NC3=CC4=C(C=C3)C=NN4
InChI
InChI=1S/C20H21N7O/c1-14-3-6-17(20(28)22-7-2-9-27-10-8-21-13-27)19(24-14)25-16-5-4-15-12-23-26-18(15)11-16/h3-6,8,10-13H,2,7,9H2,1H3,(H,22,28)(H,23,26)(H,24,25)
InChIKey
GHEVOVJYDIRUBI-UHFFFAOYSA-N
Compound name
N-(3-imidazol-1-ylpropyl)-2-(1H-indazol-6-ylamino)-6-methylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

375.18076 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.18804 185.4
[M+Na]+ 398.16998 192.9
[M-H]- 374.17348 189.8
[M+NH4]+ 393.21458 193.6
[M+K]+ 414.14392 185.7
[M+H-H2O]+ 358.17802 173.8
[M+HCOO]- 420.17896 205.1
[M+CH3COO]- 434.19461 194.0
[M+Na-2H]- 396.15543 189.1
[M]+ 375.18021 186.6
[M]- 375.18131 186.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.