CID 508483

Schembl7079355

Structural Information

Molecular Formula
C18H20N6O2
SMILES
CC1=NC(=C(C=C1)C(=O)NN2CCOCC2)NC3=CC4=C(C=C3)C=NN4
InChI
InChI=1S/C18H20N6O2/c1-12-2-5-15(18(25)23-24-6-8-26-9-7-24)17(20-12)21-14-4-3-13-11-19-22-16(13)10-14/h2-5,10-11H,6-9H2,1H3,(H,19,22)(H,20,21)(H,23,25)
InChIKey
RFEHBEVHZWWIGD-UHFFFAOYSA-N
Compound name
2-(1H-indazol-6-ylamino)-6-methyl-N-morpholin-4-ylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

352.16476 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17204 180.8
[M+Na]+ 375.15398 186.7
[M-H]- 351.15748 185.6
[M+NH4]+ 370.19858 187.8
[M+K]+ 391.12792 181.4
[M+H-H2O]+ 335.16202 169.2
[M+HCOO]- 397.16296 196.6
[M+CH3COO]- 411.17861 189.0
[M+Na-2H]- 373.13943 185.5
[M]+ 352.16421 177.6
[M]- 352.16531 177.6
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

patents stripe