CID 65759

Osmadizone

Structural Information

Molecular Formula
C23H22N2O4S
SMILES
C1=CC=C(C=C1)NN(C2=CC=CC=C2)C(=O)C(CCS(=O)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C23H22N2O4S/c26-22(21(23(27)28)16-17-30(29)20-14-8-3-9-15-20)25(19-12-6-2-7-13-19)24-18-10-4-1-5-11-18/h1-15,21,24H,16-17H2,(H,27,28)
InChIKey
AMJPXGQNYYTBKB-UHFFFAOYSA-N
Compound name
2-[anilino(phenyl)carbamoyl]-4-(benzenesulfinyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
Patents

422.13004 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.137316 199.1
[M+Na]+ 445.119258 199.8
[M-H]- 421.122764 207.0
[M+NH4]+ 440.163863 206.8
[M+K]+ 461.093198 196.1
[M+H-H2O]+ 405.127300 188.8
[M+HCOO]- 467.128241 214.7
[M+CH3COO]- 481.143891 228.0
[M+Na-2H]- 443.104706 198.8
[M]+ 422.12949142 199.7
[M]- 422.13058858 199.7
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

patents stripe