CID 462928

N-(1,3-dimethylbutyl)-2-[[2-(1,3-dimethylbutylcarbamoyl)phenyl]disulfanyl]benzamide

Structural Information

Molecular Formula
C26H36N2O2S2
SMILES
CC(C)CC(C)NC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NC(C)CC(C)C
InChI
InChI=1S/C26H36N2O2S2/c1-17(2)15-19(5)27-25(29)21-11-7-9-13-23(21)31-32-24-14-10-8-12-22(24)26(30)28-20(6)16-18(3)4/h7-14,17-20H,15-16H2,1-6H3,(H,27,29)(H,28,30)
InChIKey
KZLVYIWGZNNQIB-UHFFFAOYSA-N
Compound name
N-(4-methylpentan-2-yl)-2-[[2-(4-methylpentan-2-ylcarbamoyl)phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

472.22183 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.22911 214.3
[M+Na]+ 495.21105 213.8
[M-H]- 471.21455 218.1
[M+NH4]+ 490.25565 221.6
[M+K]+ 511.18499 208.1
[M+H-H2O]+ 455.21909 205.0
[M+HCOO]- 517.22003 219.9
[M+CH3COO]- 531.23568 243.1
[M+Na-2H]- 493.19650 207.0
[M]+ 472.22128 217.5
[M]- 472.22238 217.5
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.