CID 9578680

1-piperazinamine, n-((4-chlorophenyl)methylene)-4-((2-(phenylmethyl)phenyl)methyl)-, (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C25H26ClN3
SMILES
C1CN(CCN1CC2=CC=CC=C2CC3=CC=CC=C3)/N=C/C4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H26ClN3/c26-25-12-10-22(11-13-25)19-27-29-16-14-28(15-17-29)20-24-9-5-4-8-23(24)18-21-6-2-1-3-7-21/h1-13,19H,14-18,20H2/b27-19+
InChIKey
SBSNCPSACGJEET-ZXVVBBHZSA-N
Compound name
(E)-N-[4-[(2-benzylphenyl)methyl]piperazin-1-yl]-1-(4-chlorophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.18152 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.18880 201.3
[M+Na]+ 426.17074 205.8
[M-H]- 402.17424 210.1
[M+NH4]+ 421.21534 209.2
[M+K]+ 442.14468 196.7
[M+H-H2O]+ 386.17878 187.6
[M+HCOO]- 448.17972 215.0
[M+CH3COO]- 462.19537 208.7
[M+Na-2H]- 424.15619 203.1
[M]+ 403.18097 198.9
[M]- 403.18207 198.9
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.