CID 9907323

Cutamesine

Structural Information

Molecular Formula

C₂₃H₃₂N₂O₂

SMILES

COC1=C(C=C(C=C1)CCN2CCN(CC2)CCCC3=CC=CC=C3)OC

InChI

InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3

InChIKey

UVSWWUWQVAQPJR-UHFFFAOYSA-N

Compound name

1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 154
References: 622
Patents: 368.24637 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

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]+	369.253646	194.2
[M+Na]+	391.235588	197.4
[M-H]-	367.239094	199.2
[M+NH4]+	386.280193	203.0
[M+K]+	407.209528	192.1
[M+H-H2O]+	351.243630	182.0
[M+HCOO]-	413.244571	210.0
[M+CH3COO]-	427.260221	218.4
[M+Na-2H]-	389.221036	194.5
[M]+	368.24582142	194.0
[M]-	368.24691858	194.0

Literature stripe

literature stripe

Patent stripe

patents stripe