CID 46784066

Cinnarizine ep impurity c

Structural Information

Molecular Formula
C35H37N2
SMILES
C1N(CC[N+](C1)(C/C=C/C2=CC=CC=C2)C/C=C/C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C35H37N2/c1-5-15-31(16-6-1)19-13-27-37(28-14-20-32-17-7-2-8-18-32)29-25-36(26-30-37)35(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-24,35H,25-30H2/q+1/b19-13+,20-14+
InChIKey
QXZCSGDPXZSPCP-IWGRKNQJSA-N
Compound name
4-benzhydryl-1,1-bis[(E)-3-phenylprop-2-enyl]piperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

485.2957 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.30298 232.4
[M+Na]+ 508.28492 231.6
[M-H]- 484.28842 241.2
[M+NH4]+ 503.32952 235.7
[M+K]+ 524.25886 215.4
[M+H-H2O]+ 468.29296 218.2
[M+HCOO]- 530.29390 244.0
[M+CH3COO]- 544.30955 235.2
[M+Na-2H]- 506.27037 233.1
[M]+ 485.29515 222.8
[M]- 485.29625 222.8
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

No patent data available for this compound.