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]+ 326.065896 169.0
[M+Na]+ 348.047838 177.8
[M-H]- 324.051344 176.8
[M+NH4]+ 343.092443 181.4
[M+K]+ 364.021778 175.6
[M+H-H2O]+ 308.055880 160.4
[M+HCOO]- 370.056821 191.2
[M+CH3COO]- 384.072471 208.1
[M+Na-2H]- 346.033286 175.6
[M]+ 325.05807142 173.3
[M]- 325.05916858 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.