CID 465358

2,2'-dithiobis(n-isobutylbenzamide)

Structural Information

Molecular Formula
C22H28N2O2S2
SMILES
CC(C)CNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCC(C)C
InChI
InChI=1S/C22H28N2O2S2/c1-15(2)13-23-21(25)17-9-5-7-11-19(17)27-28-20-12-8-6-10-18(20)22(26)24-14-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKey
ONJZGHKRGYTAKJ-UHFFFAOYSA-N
Compound name
N-(2-methylpropyl)-2-[[2-(2-methylpropylcarbamoyl)phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

416.1592 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.16648 198.5
[M+Na]+ 439.14842 200.6
[M-H]- 415.15192 203.1
[M+NH4]+ 434.19302 208.3
[M+K]+ 455.12236 194.3
[M+H-H2O]+ 399.15646 189.5
[M+HCOO]- 461.15740 207.6
[M+CH3COO]- 475.17305 230.0
[M+Na-2H]- 437.13387 194.6
[M]+ 416.15865 201.4
[M]- 416.15975 201.4
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

No patent data available for this compound.