CID 132275352

Dtxsid701029333

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
4
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 172.4
[M+Na]+ 352.07916 177.5
[M-H]- 328.08266 177.7
[M+NH4]+ 347.12376 184.4
[M+K]+ 368.05310 175.8
[M+H-H2O]+ 312.08720 163.9
[M+HCOO]- 374.08814 194.0
[M+CH3COO]- 388.10379 208.2
[M+Na-2H]- 350.06461 174.1
[M]+ 329.08939 175.2
[M]- 329.09049 175.2
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.