CID 46214930

Gsk2256098

Structural Information

Molecular Formula
C20H23ClN6O2
SMILES
CC1=NN(C(=C1)NC2=NC=C(C(=C2)NC3=CC=CC=C3C(=O)NOC)Cl)C(C)C
InChI
InChI=1S/C20H23ClN6O2/c1-12(2)27-19(9-13(3)25-27)24-18-10-17(15(21)11-22-18)23-16-8-6-5-7-14(16)20(28)26-29-4/h5-12H,1-4H3,(H,26,28)(H2,22,23,24)
InChIKey
BVAHPPKGOOJSPU-UHFFFAOYSA-N
Compound name
2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]pyridin-4-yl]amino]-N-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

1731
Patents

414.1571 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.16438 199.1
[M+Na]+ 437.14632 206.0
[M-H]- 413.14982 205.9
[M+NH4]+ 432.19092 207.3
[M+K]+ 453.12026 200.2
[M+H-H2O]+ 397.15436 188.1
[M+HCOO]- 459.15530 216.5
[M+CH3COO]- 473.17095 232.8
[M+Na-2H]- 435.13177 199.5
[M]+ 414.15655 203.0
[M]- 414.15765 203.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe