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

153
References

400
Patents

368.24637 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.25365 195.1
[M+Na]+ 391.23559 209.1
[M+NH4]+ 386.28019 202.4
[M+K]+ 407.20953 199.4
[M-H]- 367.23909 200.7
[M+Na-2H]- 389.22104 203.3
[M]+ 368.24582 198.8
[M]- 368.24692 198.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe