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 205.0
[M+Na]+ 486.11279 210.1
[M-H]- 462.11629 208.2
[M+NH4]+ 481.15739 212.9
[M+K]+ 502.08673 202.4
[M+H-H2O]+ 446.12083 197.6
[M+HCOO]- 508.12177 211.9
[M+CH3COO]- 522.13742 223.6
[M+Na-2H]- 484.09824 205.9
[M]+ 463.12302 207.2
[M]- 463.12412 207.2
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.