CID 3075706

198649-72-8

Structural Information

Molecular Formula
C24H19N3O5S
SMILES
CC1=CC2=C(C=C1)OC=C(C2=O)C=NC3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4=CC=CC=C4
InChI
InChI=1S/C24H19N3O5S/c1-16-7-12-22-21(13-16)23(28)17(15-32-22)14-25-18-8-10-20(11-9-18)33(30,31)27-24(29)26-19-5-3-2-4-6-19/h2-15H,1H3,(H2,26,27,29)
InChIKey
SOVLKXIAUDJZOS-UHFFFAOYSA-N
Compound name
1-[4-[(6-methyl-4-oxochromen-3-yl)methylideneamino]phenyl]sulfonyl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.10455 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.11183 208.4
[M+Na]+ 484.09377 215.3
[M-H]- 460.09727 220.7
[M+NH4]+ 479.13837 215.8
[M+K]+ 500.06771 211.1
[M+H-H2O]+ 444.10181 197.6
[M+HCOO]- 506.10275 227.9
[M+CH3COO]- 520.11840 238.6
[M+Na-2H]- 482.07922 215.2
[M]+ 461.10400 212.9
[M]- 461.10510 212.9
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.