CID 13394779

N-(n-methylcarbamoyloxy)fenfluramine

Structural Information

Molecular Formula
C14H19F3N2O2
SMILES
CCN(C(C)CC1=CC(=CC=C1)C(F)(F)F)OC(=O)NC
InChI
InChI=1S/C14H19F3N2O2/c1-4-19(21-13(20)18-3)10(2)8-11-6-5-7-12(9-11)14(15,16)17/h5-7,9-10H,4,8H2,1-3H3,(H,18,20)
InChIKey
TVBMUKOENJHCQD-UHFFFAOYSA-N
Compound name
[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.13986 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.147136 169.0
[M+Na]+ 327.129078 174.0
[M-H]- 303.132584 169.6
[M+NH4]+ 322.173683 184.0
[M+K]+ 343.103018 172.9
[M+H-H2O]+ 287.137120 159.1
[M+HCOO]- 349.138061 188.3
[M+CH3COO]- 363.153711 212.2
[M+Na-2H]- 325.114526 170.1
[M]+ 304.13931142 167.4
[M]- 304.14040858 167.4
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.