CID 54699388

3-n-(3-chlorophenyl)carbamoyl-4-hydroxycoumarin

Structural Information

Molecular Formula
C16H10ClNO4
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)O2)C(=O)NC3=CC(=CC=C3)Cl)O
InChI
InChI=1S/C16H10ClNO4/c17-9-4-3-5-10(8-9)18-15(20)13-14(19)11-6-1-2-7-12(11)22-16(13)21/h1-8,19H,(H,18,20)
InChIKey
VYCKOOGFLWWOEM-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

315.02985 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.03713 167.0
[M+Na]+ 338.01907 177.4
[M-H]- 314.02257 174.9
[M+NH4]+ 333.06367 181.3
[M+K]+ 353.99301 172.9
[M+H-H2O]+ 298.02711 160.0
[M+HCOO]- 360.02805 184.6
[M+CH3COO]- 374.04370 204.1
[M+Na-2H]- 336.00452 173.4
[M]+ 315.02930 171.3
[M]- 315.03040 171.3
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