CID 250315

N-(4-oxo-2-phenyl-4h-chromen-3-yl)methanesulfonamide

Structural Information

Molecular Formula
C16H13NO4S
SMILES
CS(=O)(=O)NC1=C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C16H13NO4S/c1-22(19,20)17-14-15(18)12-9-5-6-10-13(12)21-16(14)11-7-3-2-4-8-11/h2-10,17H,1H3
InChIKey
OITAOLSAMIHDBV-UHFFFAOYSA-N
Compound name
N-(4-oxo-2-phenylchromen-3-yl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.05652 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.06380 167.9
[M+Na]+ 338.04574 178.0
[M-H]- 314.04924 177.0
[M+NH4]+ 333.09034 182.4
[M+K]+ 354.01968 174.3
[M+H-H2O]+ 298.05378 160.4
[M+HCOO]- 360.05472 186.3
[M+CH3COO]- 374.07037 204.7
[M+Na-2H]- 336.03119 175.7
[M]+ 315.05597 172.8
[M]- 315.05707 172.8
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.