CID 77843985

1391927-10-8

Structural Information

Molecular Formula
C20H22F3N3O2
SMILES
C1=CC=C(C(=C1)N)NC(=O)CCCCCC(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C20H22F3N3O2/c21-20(22,23)14-7-6-8-15(13-14)25-18(27)11-2-1-3-12-19(28)26-17-10-5-4-9-16(17)24/h4-10,13H,1-3,11-12,24H2,(H,25,27)(H,26,28)
InChIKey
FROVSQZVALTRLH-UHFFFAOYSA-N
Compound name
N'-(2-aminophenyl)-N-[3-(trifluoromethyl)phenyl]heptanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

393.1664 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.17368 192.0
[M+Na]+ 416.15562 195.8
[M-H]- 392.15912 193.5
[M+NH4]+ 411.20022 201.7
[M+K]+ 432.12956 190.6
[M+H-H2O]+ 376.16366 180.3
[M+HCOO]- 438.16460 210.7
[M+CH3COO]- 452.18025 227.6
[M+Na-2H]- 414.14107 192.3
[M]+ 393.16585 186.9
[M]- 393.16695 186.9
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