CID 5347749

303095-58-1

Structural Information

Molecular Formula
C19H21N3O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)/N=C/C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C19H21N3O3/c1-25-18-9-5-4-8-17(18)21-10-12-22(13-11-21)20-14-15-6-2-3-7-16(15)19(23)24/h2-9,14H,10-13H2,1H3,(H,23,24)/b20-14+
InChIKey
MYEPOEGBNGCBAR-XSFVSMFZSA-N
Compound name
2-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

339.1583 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.165576 180.7
[M+Na]+ 362.147518 185.1
[M-H]- 338.151024 186.8
[M+NH4]+ 357.192123 190.2
[M+K]+ 378.121458 180.7
[M+H-H2O]+ 322.155560 169.4
[M+HCOO]- 384.156501 198.6
[M+CH3COO]- 398.172151 212.7
[M+Na-2H]- 360.132966 182.9
[M]+ 339.15775142 178.0
[M]- 339.15884858 178.0
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.