CID 208651

32773-97-0

Structural Information

Molecular Formula
C17H11NO6
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(O2)NC=O)OC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C17H11NO6/c19-9-18-16-15(14(20)10-5-1-3-7-12(10)24-16)23-13-8-4-2-6-11(13)17(21)22/h1-9H,(H,18,19)(H,21,22)
InChIKey
NVQPVIIVSQPOAW-UHFFFAOYSA-N
Compound name
2-(2-formamido-4-oxochromen-3-yl)oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.05862 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.06590 169.0
[M+Na]+ 348.04784 177.8
[M-H]- 324.05134 176.8
[M+NH4]+ 343.09244 181.4
[M+K]+ 364.02178 175.6
[M+H-H2O]+ 308.05588 160.4
[M+HCOO]- 370.05682 191.2
[M+CH3COO]- 384.07247 208.1
[M+Na-2H]- 346.03329 175.6
[M]+ 325.05807 173.3
[M]- 325.05917 173.3
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.