CID 24875320

5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide

Structural Information

Molecular Formula
C21H17F3N4O2
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=CN=CC(=C3)C(=O)N
InChI
InChI=1S/C21H17F3N4O2/c1-12-5-6-13(8-18(12)27-17-7-14(19(25)29)10-26-11-17)20(30)28-16-4-2-3-15(9-16)21(22,23)24/h2-11,27H,1H3,(H2,25,29)(H,28,30)
InChIKey
SAAYRHKJHDIDPH-UHFFFAOYSA-N
Compound name
5-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

77
Patents

414.13037 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.13765 196.1
[M+Na]+ 437.11959 202.4
[M-H]- 413.12309 200.5
[M+NH4]+ 432.16419 203.4
[M+K]+ 453.09353 196.3
[M+H-H2O]+ 397.12763 183.1
[M+HCOO]- 459.12857 214.3
[M+CH3COO]- 473.14422 232.5
[M+Na-2H]- 435.10504 197.5
[M]+ 414.12982 190.4
[M]- 414.13092 190.4
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