CID 465355

2,2'-dithiobis[n-ethylbenzamide]

Structural Information

Molecular Formula
C18H20N2O2S2
SMILES
CCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCC
InChI
InChI=1S/C18H20N2O2S2/c1-3-19-17(21)13-9-5-7-11-15(13)23-24-16-12-8-6-10-14(16)18(22)20-4-2/h5-12H,3-4H2,1-2H3,(H,19,21)(H,20,22)
InChIKey
IQNFPBPVAUBZGP-UHFFFAOYSA-N
Compound name
N-ethyl-2-[[2-(ethylcarbamoyl)phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

360.09662 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.10390 181.7
[M+Na]+ 383.08584 186.4
[M-H]- 359.08934 187.1
[M+NH4]+ 378.13044 194.1
[M+K]+ 399.05978 179.7
[M+H-H2O]+ 343.09388 173.2
[M+HCOO]- 405.09482 194.3
[M+CH3COO]- 419.11047 216.8
[M+Na-2H]- 381.07129 181.3
[M]+ 360.09607 184.3
[M]- 360.09717 184.3
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