CID 457466

2,2'-dithiobis(n,n-di-n-butylbenzamide)

Structural Information

Molecular Formula
C30H44N2O2S2
SMILES
CCCCN(CCCC)C(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)N(CCCC)CCCC
InChI
InChI=1S/C30H44N2O2S2/c1-5-9-21-31(22-10-6-2)29(33)25-17-13-15-19-27(25)35-36-28-20-16-14-18-26(28)30(34)32(23-11-7-3)24-12-8-4/h13-20H,5-12,21-24H2,1-4H3
InChIKey
ZOVINWYSGLHMNO-UHFFFAOYSA-N
Compound name
N,N-dibutyl-2-[[2-(dibutylcarbamoyl)phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

528.2844 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.29168 232.9
[M+Na]+ 551.27362 232.3
[M-H]- 527.27712 238.6
[M+NH4]+ 546.31822 239.5
[M+K]+ 567.24756 226.0
[M+H-H2O]+ 511.28166 221.6
[M+HCOO]- 573.28260 242.3
[M+CH3COO]- 587.29825 257.1
[M+Na-2H]- 549.25907 226.0
[M]+ 528.28385 241.9
[M]- 528.28495 241.9
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