CID 3075710

198649-76-2

Structural Information

Molecular Formula
C24H19N3O4S2
SMILES
CC1=CC2=C(C=C1)OC=C(C2=O)C=NC3=CC=C(C=C3)S(=O)(=O)NC(=S)NC4=CC=CC=C4
InChI
InChI=1S/C24H19N3O4S2/c1-16-7-12-22-21(13-16)23(28)17(15-31-22)14-25-18-8-10-20(11-9-18)33(29,30)27-24(32)26-19-5-3-2-4-6-19/h2-15H,1H3,(H2,26,27,32)
InChIKey
RLJHOPWJEYEDCX-UHFFFAOYSA-N
Compound name
1-[4-[(6-methyl-4-oxochromen-3-yl)methylideneamino]phenyl]sulfonyl-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.0817 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.08898 211.4
[M+Na]+ 500.07092 218.5
[M-H]- 476.07442 222.7
[M+NH4]+ 495.11552 218.6
[M+K]+ 516.04486 211.9
[M+H-H2O]+ 460.07896 201.4
[M+HCOO]- 522.07990 225.5
[M+CH3COO]- 536.09555 239.7
[M+Na-2H]- 498.05637 217.8
[M]+ 477.08115 215.3
[M]- 477.08225 215.3
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.