CID 71539690

N-(2-fluoro-4-(3-((2-m-tolyl-6-(trifluoromethyl)pyridin-3-yl)methyl)ureido)benzyl)methanesulfonamide

Structural Information

Molecular Formula
C23H22F4N4O3S
SMILES
CC1=CC(=CC=C1)C2=C(C=CC(=N2)C(F)(F)F)CNC(=O)NC3=CC(=C(C=C3)CNS(=O)(=O)C)F
InChI
InChI=1S/C23H22F4N4O3S/c1-14-4-3-5-15(10-14)21-17(7-9-20(31-21)23(25,26)27)12-28-22(32)30-18-8-6-16(19(24)11-18)13-29-35(2,33)34/h3-11,29H,12-13H2,1-2H3,(H2,28,30,32)
InChIKey
RKDUDSFOPJMGMR-UHFFFAOYSA-N
Compound name
1-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-3-[[2-(3-methylphenyl)-6-(trifluoromethyl)pyridin-3-yl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

510.1349 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.14218 209.1
[M+Na]+ 533.12412 215.3
[M+NH4]+ 528.16872 210.3
[M+K]+ 549.09806 209.5
[M-H]- 509.12762 207.5
[M+Na-2H]- 531.10957 213.4
[M]+ 510.13435 209.4
[M]- 510.13545 209.4
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