CID 3069820

85302-26-7

Structural Information

Molecular Formula
C19H18N2O5S
SMILES
CC1=CC(=C(C2=C1C(=CC(=O)O2)C)S(=O)(=O)NC(=O)NC3=CC=CC=C3)C
InChI
InChI=1S/C19H18N2O5S/c1-11-9-13(3)18(17-16(11)12(2)10-15(22)26-17)27(24,25)21-19(23)20-14-7-5-4-6-8-14/h4-10H,1-3H3,(H2,20,21,23)
InChIKey
FPENSZWANGTHHM-UHFFFAOYSA-N
Compound name
1-phenyl-3-(4,5,7-trimethyl-2-oxochromen-8-yl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.09363 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10091 188.3
[M+Na]+ 409.08285 197.2
[M-H]- 385.08635 197.3
[M+NH4]+ 404.12745 199.6
[M+K]+ 425.05679 193.9
[M+H-H2O]+ 369.09089 180.0
[M+HCOO]- 431.09183 205.7
[M+CH3COO]- 445.10748 222.7
[M+Na-2H]- 407.06830 193.3
[M]+ 386.09308 194.2
[M]- 386.09418 194.2
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.