CID 508473

Schembl7077576

Structural Information

Molecular Formula
C21H20N6O
SMILES
CC1=NC(=C(C=C1)C(=O)NCCC2=CC=CC=N2)NC3=CC4=C(C=C3)NN=C4
InChI
InChI=1S/C21H20N6O/c1-14-5-7-18(21(28)23-11-9-16-4-2-3-10-22-16)20(25-14)26-17-6-8-19-15(12-17)13-24-27-19/h2-8,10,12-13H,9,11H2,1H3,(H,23,28)(H,24,27)(H,25,26)
InChIKey
ZBKRTTAVKNKTAJ-UHFFFAOYSA-N
Compound name
2-(1H-indazol-5-ylamino)-6-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

372.16986 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.17714 186.7
[M+Na]+ 395.15908 194.1
[M-H]- 371.16258 191.6
[M+NH4]+ 390.20368 194.4
[M+K]+ 411.13302 186.0
[M+H-H2O]+ 355.16712 174.8
[M+HCOO]- 417.16806 206.4
[M+CH3COO]- 431.18371 195.2
[M+Na-2H]- 393.14453 192.8
[M]+ 372.16931 186.7
[M]- 372.17041 186.7
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.