CID 217624

39031-41-9

Structural Information

Molecular Formula
C21H25N3O5S2
SMILES
C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CCCCNCCSS(=O)(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C21H25N3O5S2/c25-19-21(17-9-3-1-4-10-17,18-11-5-2-6-12-18)23-20(26)24(19)15-8-7-13-22-14-16-30-31(27,28)29/h1-6,9-12,22H,7-8,13-16H2,(H,23,26)(H,27,28,29)
InChIKey
AHJKWEGRFSHCRN-UHFFFAOYSA-N
Compound name
2,5-dioxo-4,4-diphenyl-1-[4-(2-sulfosulfanylethylamino)butyl]imidazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.12357 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.13085 203.8
[M+Na]+ 486.11279 211.6
[M+NH4]+ 481.15739 208.7
[M+K]+ 502.08673 203.1
[M-H]- 462.11629 204.9
[M+Na-2H]- 484.09824 209.6
[M]+ 463.12302 205.9
[M]- 463.12412 205.9
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.