CID 54225974

Cinnarizine metabolite m2

Structural Information

Molecular Formula
C26H28N2O
SMILES
C1CN(CCN1CC=CC2=CC=C(C=C2)O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H28N2O/c29-25-15-13-22(14-16-25)8-7-17-27-18-20-28(21-19-27)26(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-16,26,29H,17-21H2
InChIKey
QFWMZESBHJUDQQ-UHFFFAOYSA-N
Compound name
4-[3-(4-benzhydrylpiperazin-1-yl)prop-1-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

384.22015 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.22743 197.0
[M+Na]+ 407.20937 198.9
[M-H]- 383.21287 203.3
[M+NH4]+ 402.25397 203.3
[M+K]+ 423.18331 190.7
[M+H-H2O]+ 367.21741 184.1
[M+HCOO]- 429.21835 210.3
[M+CH3COO]- 443.23400 203.2
[M+Na-2H]- 405.19482 197.4
[M]+ 384.21960 190.0
[M]- 384.22070 190.0
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.