CID 13394792

N-ethyl-alpha-methyl-n-((1-naphthalenylcarbonyl)oxy)-3-(trifluoromethyl)benzeneethanamine

Structural Information

Molecular Formula
C23H22F3NO2
SMILES
CCN(C(C)CC1=CC(=CC=C1)C(F)(F)F)OC(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C23H22F3NO2/c1-3-27(16(2)14-17-8-6-11-19(15-17)23(24,25)26)29-22(28)21-13-7-10-18-9-4-5-12-20(18)21/h4-13,15-16H,3,14H2,1-2H3
InChIKey
ZFRJVJKCYRTMCB-UHFFFAOYSA-N
Compound name
[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.16028 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.16756 196.2
[M+Na]+ 424.14950 201.4
[M-H]- 400.15300 200.2
[M+NH4]+ 419.19410 207.8
[M+K]+ 440.12344 197.0
[M+H-H2O]+ 384.15754 184.2
[M+HCOO]- 446.15848 212.3
[M+CH3COO]- 460.17413 229.0
[M+Na-2H]- 422.13495 197.2
[M]+ 401.15973 195.2
[M]- 401.16083 195.2
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.