CID 457458

2,2'-dithiobis(n-decylbenzamide)

Structural Information

Molecular Formula
C34H52N2O2S2
SMILES
CCCCCCCCCCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCCCCCCCCCC
InChI
InChI=1S/C34H52N2O2S2/c1-3-5-7-9-11-13-15-21-27-35-33(37)29-23-17-19-25-31(29)39-40-32-26-20-18-24-30(32)34(38)36-28-22-16-14-12-10-8-6-4-2/h17-20,23-26H,3-16,21-22,27-28H2,1-2H3,(H,35,37)(H,36,38)
InChIKey
PBBMUBRYBYZLDF-UHFFFAOYSA-N
Compound name
N-decyl-2-[[2-(decylcarbamoyl)phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

584.34705 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.35433 244.2
[M+Na]+ 607.33627 241.5
[M-H]- 583.33977 246.0
[M+NH4]+ 602.38087 247.2
[M+K]+ 623.31021 231.6
[M+H-H2O]+ 567.34431 232.6
[M+HCOO]- 629.34525 251.6
[M+CH3COO]- 643.36090 262.1
[M+Na-2H]- 605.32172 237.2
[M]+ 584.34650 251.9
[M]- 584.34760 251.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.