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 188.1
[M+Na]+ 386.22027 193.0
[M-H]- 362.22377 190.7
[M+NH4]+ 381.26487 195.4
[M+K]+ 402.19421 185.1
[M+H-H2O]+ 346.22831 169.9
[M+HCOO]- 408.22925 199.5
[M+CH3COO]- 422.24490 225.6
[M+Na-2H]- 384.20572 188.0
[M]+ 363.23050 180.2
[M]- 363.23160 180.2
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.