CID 3075705

198649-71-7

Structural Information

Molecular Formula
C23H16ClN3O5S
SMILES
C1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)N=CC3=COC4=C(C3=O)C=C(C=C4)Cl
InChI
InChI=1S/C23H16ClN3O5S/c24-16-6-11-21-20(12-16)22(28)15(14-32-21)13-25-17-7-9-19(10-8-17)33(30,31)27-23(29)26-18-4-2-1-3-5-18/h1-14H,(H2,26,27,29)
InChIKey
HJLDIVJARSLWBK-UHFFFAOYSA-N
Compound name
1-[4-[(6-chloro-4-oxochromen-3-yl)methylideneamino]phenyl]sulfonyl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.04993 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.05721 211.0
[M+Na]+ 504.03915 219.1
[M-H]- 480.04265 223.6
[M+NH4]+ 499.08375 218.8
[M+K]+ 520.01309 214.0
[M+H-H2O]+ 464.04719 201.4
[M+HCOO]- 526.04813 226.5
[M+CH3COO]- 540.06378 239.0
[M+Na-2H]- 502.02460 218.0
[M]+ 481.04938 218.0
[M]- 481.05048 218.0
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.