CID 250314

6959-91-7

Structural Information

Molecular Formula
C16H15NO4S
SMILES
CS(=O)(=O)NC1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C16H15NO4S/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/h2-10,14,16-17H,1H3
InChIKey
QZNMKLUUSKXLDR-UHFFFAOYSA-N
Compound name
N-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.07217 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.07945 168.4
[M+Na]+ 340.06139 176.4
[M-H]- 316.06489 176.7
[M+NH4]+ 335.10599 182.6
[M+K]+ 356.03533 173.1
[M+H-H2O]+ 300.06943 161.1
[M+HCOO]- 362.07037 184.0
[M+CH3COO]- 376.08602 205.3
[M+Na-2H]- 338.04684 174.6
[M]+ 317.07162 170.6
[M]- 317.07272 170.6
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.