CID 465356

2,2'-dithiobis(n-cyclopropylbenzamide)

Structural Information

Molecular Formula
C20H20N2O2S2
SMILES
C1CC1NC(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)NC4CC4
InChI
InChI=1S/C20H20N2O2S2/c23-19(21-13-9-10-13)15-5-1-3-7-17(15)25-26-18-8-4-2-6-16(18)20(24)22-14-11-12-14/h1-8,13-14H,9-12H2,(H,21,23)(H,22,24)
InChIKey
XEXKCQNNWRSHGD-UHFFFAOYSA-N
Compound name
N-cyclopropyl-2-[[2-(cyclopropylcarbamoyl)phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

384.09662 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.10390 167.6
[M+Na]+ 407.08584 171.6
[M-H]- 383.08934 177.4
[M+NH4]+ 402.13044 169.0
[M+K]+ 423.05978 166.7
[M+H-H2O]+ 367.09388 160.9
[M+HCOO]- 429.09482 180.1
[M+CH3COO]- 443.11047 174.7
[M+Na-2H]- 405.07129 167.9
[M]+ 384.09607 171.9
[M]- 384.09717 171.9
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