CID 508482

Schembl7078467

Structural Information

Molecular Formula
C21H26N6O
SMILES
CC1=NC(=C(C=C1)C(=O)NCCN2CCCCC2)NC3=CC4=C(C=C3)C=NN4
InChI
InChI=1S/C21H26N6O/c1-15-5-8-18(21(28)22-9-12-27-10-3-2-4-11-27)20(24-15)25-17-7-6-16-14-23-26-19(16)13-17/h5-8,13-14H,2-4,9-12H2,1H3,(H,22,28)(H,23,26)(H,24,25)
InChIKey
SJGHTOHSKFKZSU-UHFFFAOYSA-N
Compound name
2-(1H-indazol-6-ylamino)-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

378.2168 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.22408 189.0
[M+Na]+ 401.20602 193.4
[M-H]- 377.20952 192.6
[M+NH4]+ 396.25062 196.2
[M+K]+ 417.17996 186.0
[M+H-H2O]+ 361.21406 176.9
[M+HCOO]- 423.21500 204.5
[M+CH3COO]- 437.23065 196.0
[M+Na-2H]- 399.19147 192.1
[M]+ 378.21625 184.8
[M]- 378.21735 184.8
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

No patent data available for this compound.