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]+ 462.111826 208.4
[M+Na]+ 484.093768 215.3
[M-H]- 460.097274 220.7
[M+NH4]+ 479.138373 215.8
[M+K]+ 500.067708 211.1
[M+H-H2O]+ 444.101810 197.6
[M+HCOO]- 506.102751 227.9
[M+CH3COO]- 520.118401 238.6
[M+Na-2H]- 482.079216 215.2
[M]+ 461.10400142 212.9
[M]- 461.10509858 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.