CID 11713159

Pf-562271

Structural Information

Molecular Formula
C21H20F3N7O3S
SMILES
CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C
InChI
InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)
InChIKey
MZDKLVOWGIOKTN-UHFFFAOYSA-N
Compound name
N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

43
References

178
Patents

507.13004 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.13732 213.2
[M+Na]+ 530.11926 220.7
[M-H]- 506.12276 215.8
[M+NH4]+ 525.16386 216.5
[M+K]+ 546.09320 213.7
[M+H-H2O]+ 490.12730 200.9
[M+HCOO]- 552.12824 222.2
[M+CH3COO]- 566.14389 245.4
[M+Na-2H]- 528.10471 217.0
[M]+ 507.12949 212.1
[M]- 507.13059 212.1
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