CID 13287817

Brn 4321140

Structural Information

Molecular Formula
C13H10N2O3
SMILES
C1C(=CC2=C(O1)C=CC(=C2)C(=O)O)N3C=CN=C3
InChI
InChI=1S/C13H10N2O3/c16-13(17)9-1-2-12-10(5-9)6-11(7-18-12)15-4-3-14-8-15/h1-6,8H,7H2,(H,16,17)
InChIKey
GJBUEKZGWCKKDD-UHFFFAOYSA-N
Compound name
3-imidazol-1-yl-2H-chromene-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

242.06914 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07642 150.9
[M+Na]+ 265.05836 159.6
[M-H]- 241.06186 155.6
[M+NH4]+ 260.10296 166.2
[M+K]+ 281.03230 156.9
[M+H-H2O]+ 225.06640 142.9
[M+HCOO]- 287.06734 169.5
[M+CH3COO]- 301.08299 163.1
[M+Na-2H]- 263.04381 156.4
[M]+ 242.06859 151.3
[M]- 242.06969 151.3
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

patents stripe