PubChemLite - Eplivanserin (C19H21FN2O2)

Structural Information

Molecular Formula

SMILES

CN(C)CCO/N=C(/C=C/C1=CC=C(C=C1)O)\C2=CC=CC=C2F

InChI

InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3/b12-9+,21-19-

InChIKey

VAIOZOCLKVMIMN-PRJWTAEASA-N

Compound name

4-[(E,3Z)-3-[2-(dimethylamino)ethoxyimino]-3-(2-fluorophenyl)prop-1-enyl]phenol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	329.16598	178.8
[M+Na]+	351.14792	183.7
[M-H]-	327.15142	184.9
[M+NH4]+	346.19252	192.5
[M+K]+	367.12186	180.0
[M+H-H2O]+	311.15596	168.6
[M+HCOO]-	373.15690	202.7
[M+CH3COO]-	387.17255	217.2
[M+Na-2H]-	349.13337	180.8
[M]+	328.15815	179.7
[M]-	328.15925	179.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

329.16598

178.8

[M+Na]+

351.14792

183.7

[M-H]-

327.15142

184.9

[M+NH4]+

346.19252

192.5

[M+K]+

367.12186

180.0

[M+H-H2O]+

311.15596

168.6

[M+HCOO]-

373.15690

202.7

[M+CH3COO]-

387.17255

217.2

[M+Na-2H]-

349.13337

180.8

[M]+

328.15815

179.7

[M]-

328.15925

179.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Eplivanserin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe