CID 9588642

85302-43-8

Structural Information

Molecular Formula
C22H21N3O5S
SMILES
CC1=CC(=C(C2=C1C(=CC(=O)O2)C)S(=O)(=O)NC(=O)N/N=C/C=C/C3=CC=CC=C3)C
InChI
InChI=1S/C22H21N3O5S/c1-14-12-16(3)21(20-19(14)15(2)13-18(26)30-20)31(28,29)25-22(27)24-23-11-7-10-17-8-5-4-6-9-17/h4-13H,1-3H3,(H2,24,25,27)/b10-7+,23-11+
InChIKey
JXMFATSIQBVOSX-XIUMHLFGSA-N
Compound name
1-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-3-(4,5,7-trimethyl-2-oxochromen-8-yl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.12018 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.12746 203.3
[M+Na]+ 462.10940 214.7
[M+NH4]+ 457.15400 207.8
[M+K]+ 478.08334 206.8
[M-H]- 438.11290 208.3
[M+Na-2H]- 460.09485 208.8
[M]+ 439.11963 206.5
[M]- 439.12073 206.5
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.