CID 4060444

329779-25-1

Structural Information

Molecular Formula
C20H16ClF3N2O
SMILES
C1=CC=C2C(=C1)C=CC=C2CNCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl
InChI
InChI=1S/C20H16ClF3N2O/c21-17-9-8-15(20(22,23)24)10-18(17)26-19(27)12-25-11-14-6-3-5-13-4-1-2-7-16(13)14/h1-10,25H,11-12H2,(H,26,27)
InChIKey
VYMFXXPQJNRFEX-UHFFFAOYSA-N
Compound name
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(naphthalen-1-ylmethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.09033 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.09761 188.4
[M+Na]+ 415.07955 196.4
[M-H]- 391.08305 191.7
[M+NH4]+ 410.12415 201.0
[M+K]+ 431.05349 188.4
[M+H-H2O]+ 375.08759 177.9
[M+HCOO]- 437.08853 202.6
[M+CH3COO]- 451.10418 223.8
[M+Na-2H]- 413.06500 192.4
[M]+ 392.08978 187.0
[M]- 392.09088 187.0
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

No patent data available for this compound.