CID 508469

Schembl7081258

Structural Information

Molecular Formula
C17H19N5O
SMILES
CC1=NC(=C(C=C1)C(=O)NC(C)C)NC2=CC3=C(C=C2)NN=C3
InChI
InChI=1S/C17H19N5O/c1-10(2)19-17(23)14-6-4-11(3)20-16(14)21-13-5-7-15-12(8-13)9-18-22-15/h4-10H,1-3H3,(H,18,22)(H,19,23)(H,20,21)
InChIKey
MRLJYAMTQGOLCO-UHFFFAOYSA-N
Compound name
2-(1H-indazol-5-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]+ 310.16625 172.8
[M+Na]+ 332.14819 180.6
[M-H]- 308.15169 176.1
[M+NH4]+ 327.19279 185.1
[M+K]+ 348.12213 174.9
[M+H-H2O]+ 292.15623 163.2
[M+HCOO]- 354.15717 193.2
[M+CH3COO]- 368.17282 182.9
[M+Na-2H]- 330.13364 177.1
[M]+ 309.15842 173.0
[M]- 309.15952 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