CID 508489

Schembl7081263

Structural Information

Molecular Formula
C20H23N5O2
SMILES
CC1=NC(=C(C=C1)C(=O)NC2CCC(CC2)O)NC3=CC4=C(C=C3)NN=C4
InChI
InChI=1S/C20H23N5O2/c1-12-2-8-17(20(27)24-14-3-6-16(26)7-4-14)19(22-12)23-15-5-9-18-13(10-15)11-21-25-18/h2,5,8-11,14,16,26H,3-4,6-7H2,1H3,(H,21,25)(H,22,23)(H,24,27)
InChIKey
UZKNJHOAZLSDIH-UHFFFAOYSA-N
Compound name
N-(4-hydroxycyclohexyl)-2-(1H-indazol-5-ylamino)-6-methylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

365.18518 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.19246 184.2
[M+Na]+ 388.17440 189.4
[M-H]- 364.17790 188.5
[M+NH4]+ 383.21900 192.9
[M+K]+ 404.14834 182.5
[M+H-H2O]+ 348.18244 173.6
[M+HCOO]- 410.18338 200.2
[M+CH3COO]- 424.19903 192.0
[M+Na-2H]- 386.15985 186.8
[M]+ 365.18463 179.3
[M]- 365.18573 179.3
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