CID 508475

Schembl7077410

Structural Information

Molecular Formula
C17H19N5O
SMILES
CC1=NC(=C(C=C1)C(=O)NC(C)C)NC2=CC3=C(C=C2)C=NN3
InChI
InChI=1S/C17H19N5O/c1-10(2)19-17(23)14-7-4-11(3)20-16(14)21-13-6-5-12-9-18-22-15(12)8-13/h4-10H,1-3H3,(H,18,22)(H,19,23)(H,20,21)
InChIKey
CYWUFTHYSOAMHV-UHFFFAOYSA-N
Compound name
2-(1H-indazol-6-ylamino)-6-methyl-N-propan-2-ylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

309.15897 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.166246 172.8
[M+Na]+ 332.148188 180.6
[M-H]- 308.151694 176.1
[M+NH4]+ 327.192793 185.1
[M+K]+ 348.122128 174.9
[M+H-H2O]+ 292.156230 163.2
[M+HCOO]- 354.157171 193.2
[M+CH3COO]- 368.172821 182.9
[M+Na-2H]- 330.133636 177.1
[M]+ 309.15842142 173.0
[M]- 309.15951858 173.0
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

patents stripe