CID 55034892

3-amino-n-methyl-2-{[4-(trifluoromethoxy)phenyl]methyl}propanamide hydrochloride

Structural Information

Molecular Formula
C12H15F3N2O2
SMILES
CNC(=O)C(CC1=CC=C(C=C1)OC(F)(F)F)CN
InChI
InChI=1S/C12H15F3N2O2/c1-17-11(18)9(7-16)6-8-2-4-10(5-3-8)19-12(13,14)15/h2-5,9H,6-7,16H2,1H3,(H,17,18)
InChIKey
SLRRUDOVAFEXFK-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-N-methyl-3-[4-(trifluoromethoxy)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.10855 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11583 159.7
[M+Na]+ 299.09777 165.4
[M-H]- 275.10127 158.7
[M+NH4]+ 294.14237 174.9
[M+K]+ 315.07171 163.0
[M+H-H2O]+ 259.10581 150.4
[M+HCOO]- 321.10675 178.6
[M+CH3COO]- 335.12240 202.9
[M+Na-2H]- 297.08322 161.6
[M]+ 276.10800 155.2
[M]- 276.10910 155.2
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.