CID 72553

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

Structural Information

Molecular Formula
C16H16N2O4S2
SMILES
C1=CC=C(C(=C1)C(=O)NCO)SSC2=CC=CC=C2C(=O)NCO
InChI
InChI=1S/C16H16N2O4S2/c19-9-17-15(21)11-5-1-3-7-13(11)23-24-14-8-4-2-6-12(14)16(22)18-10-20/h1-8,19-20H,9-10H2,(H,17,21)(H,18,22)
InChIKey
SRLMXHFHBJOQEW-UHFFFAOYSA-N
Compound name
N-(hydroxymethyl)-2-[[2-(hydroxymethylcarbamoyl)phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

364.05515 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.06243 178.3
[M+Na]+ 387.04437 182.3
[M-H]- 363.04787 181.0
[M+NH4]+ 382.08897 188.7
[M+K]+ 403.01831 175.5
[M+H-H2O]+ 347.05241 170.3
[M+HCOO]- 409.05335 189.0
[M+CH3COO]- 423.06900 210.8
[M+Na-2H]- 385.02982 178.9
[M]+ 364.05460 179.4
[M]- 364.05570 179.4
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