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]+ 340.16558 180.7
[M+Na]+ 362.14752 185.1
[M-H]- 338.15102 186.8
[M+NH4]+ 357.19212 190.2
[M+K]+ 378.12146 180.7
[M+H-H2O]+ 322.15556 169.4
[M+HCOO]- 384.15650 198.6
[M+CH3COO]- 398.17215 212.7
[M+Na-2H]- 360.13297 182.9
[M]+ 339.15775 178.0
[M]- 339.15885 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.