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 177.4
[M+Na]+ 346.15262 181.1
[M-H]- 322.15612 183.1
[M+NH4]+ 341.19722 187.4
[M+K]+ 362.12656 175.9
[M+H-H2O]+ 306.16066 166.1
[M+HCOO]- 368.16160 195.1
[M+CH3COO]- 382.17725 209.3
[M+Na-2H]- 344.13807 180.3
[M]+ 323.16285 172.9
[M]- 323.16395 172.9
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.