CID 33860

Brn 0462682

Structural Information

Molecular Formula
C21H14ClN3O5S
SMILES
C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl
InChI
InChI=1S/C21H14ClN3O5S/c22-13-4-9-18-16(11-13)17(26)12-19(30-18)21(27)24-14-5-7-15(8-6-14)31(28,29)25-20-3-1-2-10-23-20/h1-12H,(H,23,25)(H,24,27)
InChIKey
CWAHPGMPLIRWSB-UHFFFAOYSA-N
Compound name
6-chloro-4-oxo-N-[4-(pyridin-2-ylsulfamoyl)phenyl]chromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.03427 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.04155 201.8
[M+Na]+ 478.02349 210.8
[M-H]- 454.02699 212.2
[M+NH4]+ 473.06809 208.9
[M+K]+ 493.99743 205.6
[M+H-H2O]+ 438.03153 192.4
[M+HCOO]- 500.03247 214.1
[M+CH3COO]- 514.04812 211.1
[M+Na-2H]- 476.00894 208.8
[M]+ 455.03372 208.2
[M]- 455.03482 208.2
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.