CID 13394789

N-(2,4,6-trimetylbenzoyloxy)fenfluramine

Structural Information

Molecular Formula
C22H26F3NO2
SMILES
CCN(C(C)CC1=CC(=CC=C1)C(F)(F)F)OC(=O)C2=C(C=C(C=C2C)C)C
InChI
InChI=1S/C22H26F3NO2/c1-6-26(28-21(27)20-15(3)10-14(2)11-16(20)4)17(5)12-18-8-7-9-19(13-18)22(23,24)25/h7-11,13,17H,6,12H2,1-5H3
InChIKey
CKCKGEPVHDYFTB-UHFFFAOYSA-N
Compound name
[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] 2,4,6-trimethylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.19156 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.19884 194.1
[M+Na]+ 416.18078 200.5
[M-H]- 392.18428 198.1
[M+NH4]+ 411.22538 206.1
[M+K]+ 432.15472 197.1
[M+H-H2O]+ 376.18882 183.1
[M+HCOO]- 438.18976 211.0
[M+CH3COO]- 452.20541 230.9
[M+Na-2H]- 414.16623 191.3
[M]+ 393.19101 194.9
[M]- 393.19211 194.9
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.