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
1
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]+ 423.13732 199.1
[M+Na]+ 445.11926 199.8
[M-H]- 421.12276 207.0
[M+NH4]+ 440.16386 206.8
[M+K]+ 461.09320 196.1
[M+H-H2O]+ 405.12730 188.8
[M+HCOO]- 467.12824 214.7
[M+CH3COO]- 481.14389 228.0
[M+Na-2H]- 443.10471 198.8
[M]+ 422.12949 199.7
[M]- 422.13059 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

No patent data available for this compound.