CID 3069823

85302-37-0

Structural Information

Molecular Formula
C19H17BrN2O5S
SMILES
CC1=CC(=C(C2=C1C(=CC(=O)O2)C)S(=O)(=O)NC(=O)NC3=CC=C(C=C3)Br)C
InChI
InChI=1S/C19H17BrN2O5S/c1-10-8-12(3)18(17-16(10)11(2)9-15(23)27-17)28(25,26)22-19(24)21-14-6-4-13(20)5-7-14/h4-9H,1-3H3,(H2,21,22,24)
InChIKey
JSRPBJPHPQDVGV-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-(4,5,7-trimethyl-2-oxochromen-8-yl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.00415 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.01143 189.5
[M+Na]+ 486.99337 201.0
[M-H]- 462.99687 200.4
[M+NH4]+ 482.03797 201.7
[M+K]+ 502.96731 189.6
[M+H-H2O]+ 447.00141 186.8
[M+HCOO]- 509.00235 204.3
[M+CH3COO]- 523.01800 231.0
[M+Na-2H]- 484.97882 195.1
[M]+ 464.00360 213.6
[M]- 464.00470 213.6
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.