CID 3075707

198649-73-9

Structural Information

Molecular Formula
C24H18ClN3O5S
SMILES
CC1=C(C=CC2=C1C(=O)C(=CO2)C=NC3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4=CC=CC=C4)Cl
InChI
InChI=1S/C24H18ClN3O5S/c1-15-20(25)11-12-21-22(15)23(29)16(14-33-21)13-26-17-7-9-19(10-8-17)34(31,32)28-24(30)27-18-5-3-2-4-6-18/h2-14H,1H3,(H2,27,28,30)
InChIKey
MJVYTGJQDZJGED-UHFFFAOYSA-N
Compound name
1-[4-[(6-chloro-5-methyl-4-oxochromen-3-yl)methylideneamino]phenyl]sulfonyl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.06558 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.07286 214.2
[M+Na]+ 518.05480 228.9
[M+NH4]+ 513.09940 220.0
[M+K]+ 534.02874 219.2
[M-H]- 494.05830 222.3
[M+Na-2H]- 516.04025 223.3
[M]+ 495.06503 219.3
[M]- 495.06613 219.3
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.