CID 132275352

2-[[2-[(e)-c-carboxy-n-methoxycarbonimidoyl]phenyl]methoxy]benzoic acid

Structural Information

Molecular Formula
C17H15NO6
SMILES
CO/N=C(\C1=CC=CC=C1COC2=CC=CC=C2C(=O)O)/C(=O)O
InChI
InChI=1S/C17H15NO6/c1-23-18-15(17(21)22)12-7-3-2-6-11(12)10-24-14-9-5-4-8-13(14)16(19)20/h2-9H,10H2,1H3,(H,19,20)(H,21,22)/b18-15+
InChIKey
JGRBJANJEHGMMK-OBGWFSINSA-N
Compound name
2-[[2-[(E)-C-carboxy-N-methoxycarbonimidoyl]phenyl]methoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

329.08994 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09722 173.7
[M+Na]+ 352.07916 184.0
[M+NH4]+ 347.12376 178.2
[M+K]+ 368.05310 180.2
[M-H]- 328.08266 175.0
[M+Na-2H]- 350.06461 179.1
[M]+ 329.08939 175.1
[M]- 329.09049 175.1
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.