CID 252683

Nsc74860

Structural Information

Molecular Formula
C17H11NO6
SMILES
C1=CC=C(C=C1)OC(=O)NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)O
InChI
InChI=1S/C17H11NO6/c19-15(20)13-9-10-8-11(6-7-14(10)24-16(13)21)18-17(22)23-12-4-2-1-3-5-12/h1-9H,(H,18,22)(H,19,20)
InChIKey
YIYAZOGKALLWEZ-UHFFFAOYSA-N
Compound name
2-oxo-6-(phenoxycarbonylamino)chromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

325.05862 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.06590 169.3
[M+Na]+ 348.04784 177.1
[M-H]- 324.05134 176.9
[M+NH4]+ 343.09244 181.5
[M+K]+ 364.02178 175.4
[M+H-H2O]+ 308.05588 160.8
[M+HCOO]- 370.05682 190.6
[M+CH3COO]- 384.07247 206.5
[M+Na-2H]- 346.03329 175.5
[M]+ 325.05807 172.5
[M]- 325.05917 172.5
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.