CID 218030

4-(1-(4-methoxyphenyl)-3-phenylpropyl)-1-piperazinepropanenitrile dimaleate

Structural Information

Molecular Formula
C23H29N3O
SMILES
COC1=CC=C(C=C1)C(CCC2=CC=CC=C2)N3CCN(CC3)CCC#N
InChI
InChI=1S/C23H29N3O/c1-27-22-11-9-21(10-12-22)23(13-8-20-6-3-2-4-7-20)26-18-16-25(17-19-26)15-5-14-24/h2-4,6-7,9-12,23H,5,8,13,15-19H2,1H3
InChIKey
WFIQMKCWOMBPRO-UHFFFAOYSA-N
Compound name
3-[4-[1-(4-methoxyphenyl)-3-phenylpropyl]piperazin-1-yl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.23105 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.23833 194.5
[M+Na]+ 386.22027 207.1
[M+NH4]+ 381.26487 198.3
[M+K]+ 402.19421 194.8
[M-H]- 362.22377 192.1
[M+Na-2H]- 384.20572 199.4
[M]+ 363.23050 194.8
[M]- 363.23160 194.8
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.