CID 72554

Benzamide, 2,2'-dithiobis(n-(2-hydroxyethyl)-

Structural Information

Molecular Formula
C18H20N2O4S2
SMILES
C1=CC=C(C(=C1)C(=O)NCCO)SSC2=CC=CC=C2C(=O)NCCO
InChI
InChI=1S/C18H20N2O4S2/c21-11-9-19-17(23)13-5-1-3-7-15(13)25-26-16-8-4-2-6-14(16)18(24)20-10-12-22/h1-8,21-22H,9-12H2,(H,19,23)(H,20,24)
InChIKey
IGWHTAZIFNXBAZ-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-2-[[2-(2-hydroxyethylcarbamoyl)phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

392.08646 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.09374 185.5
[M+Na]+ 415.07568 193.5
[M+NH4]+ 410.12028 191.0
[M+K]+ 431.04962 184.9
[M-H]- 391.07918 188.1
[M+Na-2H]- 413.06113 190.4
[M]+ 392.08591 187.9
[M]- 392.08701 187.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe