CID 508486

Schembl7077388

Structural Information

Molecular Formula
C20H18N6O
SMILES
CC1=NC(=C(C=C1)C(=O)NCC2=CN=CC=C2)NC3=CC4=C(C=C3)C=NN4
InChI
InChI=1S/C20H18N6O/c1-13-4-7-17(20(27)22-11-14-3-2-8-21-10-14)19(24-13)25-16-6-5-15-12-23-26-18(15)9-16/h2-10,12H,11H2,1H3,(H,22,27)(H,23,26)(H,24,25)
InChIKey
CZACGFUTRWFSNZ-UHFFFAOYSA-N
Compound name
2-(1H-indazol-6-ylamino)-6-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

358.1542 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.16148 182.5
[M+Na]+ 381.14342 190.5
[M-H]- 357.14692 187.6
[M+NH4]+ 376.18802 190.8
[M+K]+ 397.11736 182.5
[M+H-H2O]+ 341.15146 170.9
[M+HCOO]- 403.15240 202.6
[M+CH3COO]- 417.16805 191.5
[M+Na-2H]- 379.12887 189.2
[M]+ 358.15365 182.2
[M]- 358.15475 182.2
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.