CID 508484

Schembl7077567

Structural Information

Molecular Formula
C19H23N7O
SMILES
CC1=NC(=C(C=C1)C(=O)NN2CCN(CC2)C)NC3=CC4=C(C=C3)C=NN4
InChI
InChI=1S/C19H23N7O/c1-13-3-6-16(19(27)24-26-9-7-25(2)8-10-26)18(21-13)22-15-5-4-14-12-20-23-17(14)11-15/h3-6,11-12H,7-10H2,1-2H3,(H,20,23)(H,21,22)(H,24,27)
InChIKey
UQIBFSYOMMUAAT-UHFFFAOYSA-N
Compound name
2-(1H-indazol-6-ylamino)-6-methyl-N-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

365.1964 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.20368 187.0
[M+Na]+ 388.18562 193.3
[M-H]- 364.18912 190.1
[M+NH4]+ 383.23022 193.8
[M+K]+ 404.15956 185.9
[M+H-H2O]+ 348.19366 174.9
[M+HCOO]- 410.19460 201.8
[M+CH3COO]- 424.21025 194.4
[M+Na-2H]- 386.17107 190.2
[M]+ 365.19585 183.1
[M]- 365.19695 183.1
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