CID 33861

Brn 0949209

Structural Information

Molecular Formula
C21H15ClN4O5S
SMILES
CC1=NC(=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/C21H15ClN4O5S/c1-12-8-9-23-21(24-12)26-32(29,30)15-5-3-14(4-6-15)25-20(28)19-11-17(27)16-10-13(22)2-7-18(16)31-19/h2-11H,1H3,(H,25,28)(H,23,24,26)
InChIKey
UPRBUBUFQIMHCY-UHFFFAOYSA-N
Compound name
6-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.04517 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.05245 206.6
[M+Na]+ 493.03439 216.3
[M-H]- 469.03789 216.1
[M+NH4]+ 488.07899 212.0
[M+K]+ 509.00833 210.9
[M+H-H2O]+ 453.04243 196.6
[M+HCOO]- 515.04337 217.5
[M+CH3COO]- 529.05902 215.4
[M+Na-2H]- 491.01984 213.0
[M]+ 470.04462 213.8
[M]- 470.04572 213.8
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.