CID 6897573

2-(((4-(4-methylbenzyl)-1-piperazinyl)imino)methyl)benzoic acid

Structural Information

Molecular Formula
C20H23N3O2
SMILES
CC1=CC=C(C=C1)CN2CCN(CC2)/N=C/C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C20H23N3O2/c1-16-6-8-17(9-7-16)15-22-10-12-23(13-11-22)21-14-18-4-2-3-5-19(18)20(24)25/h2-9,14H,10-13,15H2,1H3,(H,24,25)/b21-14+
InChIKey
NAZNHYNGBYEIET-KGENOOAVSA-N
Compound name
2-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.17902 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18630 182.9
[M+Na]+ 360.16824 196.0
[M+NH4]+ 355.21284 189.6
[M+K]+ 376.14218 188.2
[M-H]- 336.17174 188.1
[M+Na-2H]- 358.15369 191.2
[M]+ 337.17847 186.1
[M]- 337.17957 186.1
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.