CID 6882419

303092-65-1

Structural Information

Molecular Formula
C19H21N3O2
SMILES
C1CN(CCN1CC2=CC=CC=C2)/N=C/C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C19H21N3O2/c23-19(24)18-9-5-4-8-17(18)14-20-22-12-10-21(11-13-22)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2,(H,23,24)/b20-14+
InChIKey
IJHBVMFIACHIBB-XSFVSMFZSA-N
Compound name
2-[(E)-(4-benzylpiperazin-1-yl)iminomethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1634 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 178.5
[M+Na]+ 346.15262 191.4
[M+NH4]+ 341.19722 185.3
[M+K]+ 362.12656 183.6
[M-H]- 322.15612 183.7
[M+Na-2H]- 344.13807 187.2
[M]+ 323.16285 181.6
[M]- 323.16395 181.6
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.