CID 465332

Benzamide, 2,2'-dithiobis[n-(4-methoxyphenyl)-

Structural Information

Molecular Formula
C28H24N2O4S2
SMILES
COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)OC
InChI
InChI=1S/C28H24N2O4S2/c1-33-21-15-11-19(12-16-21)29-27(31)23-7-3-5-9-25(23)35-36-26-10-6-4-8-24(26)28(32)30-20-13-17-22(34-2)18-14-20/h3-18H,1-2H3,(H,29,31)(H,30,32)
InChIKey
CZPRNNJHDKHSJW-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

516.11774 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.12502 220.4
[M+Na]+ 539.10696 224.3
[M-H]- 515.11046 231.2
[M+NH4]+ 534.15156 225.4
[M+K]+ 555.08090 217.0
[M+H-H2O]+ 499.11500 209.2
[M+HCOO]- 561.11594 233.0
[M+CH3COO]- 575.13159 244.3
[M+Na-2H]- 537.09241 220.7
[M]+ 516.11719 224.5
[M]- 516.11829 224.5
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