CID 364121

Nsc629790

Structural Information

Molecular Formula
C19H15NO5
SMILES
CC1=CC2=C(C(=C1C)C(=O)N)OC(=CC2=O)C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C19H15NO5/c1-9-7-13-14(21)8-15(11-3-5-12(6-4-11)19(23)24)25-17(13)16(10(9)2)18(20)22/h3-8H,1-2H3,(H2,20,22)(H,23,24)
InChIKey
URLAHZRXOKHCHA-UHFFFAOYSA-N
Compound name
4-(8-carbamoyl-6,7-dimethyl-4-oxochromen-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.09503 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.10231 177.0
[M+Na]+ 360.08425 186.6
[M-H]- 336.08775 184.8
[M+NH4]+ 355.12885 189.3
[M+K]+ 376.05819 183.8
[M+H-H2O]+ 320.09229 168.9
[M+HCOO]- 382.09323 196.7
[M+CH3COO]- 396.10888 215.0
[M+Na-2H]- 358.06970 178.7
[M]+ 337.09448 180.0
[M]- 337.09558 180.0
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.