CID 202209

Benzamide, 2,2'-dithiobis(n-propyl-

Structural Information

Molecular Formula
C20H24N2O2S2
SMILES
CCCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCCC
InChI
InChI=1S/C20H24N2O2S2/c1-3-13-21-19(23)15-9-5-7-11-17(15)25-26-18-12-8-6-10-16(18)20(24)22-14-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKey
YEGDCKYCFIROQE-UHFFFAOYSA-N
Compound name
N-propyl-2-[[2-(propylcarbamoyl)phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

388.12793 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.13521 189.8
[M+Na]+ 411.11715 193.6
[M-H]- 387.12065 194.8
[M+NH4]+ 406.16175 201.1
[M+K]+ 427.09109 186.4
[M+H-H2O]+ 371.12519 180.9
[M+HCOO]- 433.12613 201.8
[M+CH3COO]- 447.14178 222.6
[M+Na-2H]- 409.10260 188.6
[M]+ 388.12738 193.1
[M]- 388.12848 193.1
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