CID 3056272

73664-33-2

Structural Information

Molecular Formula
C18H19F3N2O
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NC(=O)CC2=CC=C(C=C2)N
InChI
InChI=1S/C18H19F3N2O/c1-12(9-14-3-2-4-15(10-14)18(19,20)21)23-17(24)11-13-5-7-16(22)8-6-13/h2-8,10,12H,9,11,22H2,1H3,(H,23,24)
InChIKey
SQXMQQMOTYZRPA-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.14496 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15224 178.0
[M+Na]+ 359.13418 183.4
[M-H]- 335.13768 179.9
[M+NH4]+ 354.17878 190.6
[M+K]+ 375.10812 178.4
[M+H-H2O]+ 319.14222 167.3
[M+HCOO]- 381.14316 196.0
[M+CH3COO]- 395.15881 215.7
[M+Na-2H]- 357.11963 178.6
[M]+ 336.14441 172.3
[M]- 336.14551 172.3
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.