CID 457496

33353-20-7

Structural Information

Molecular Formula
C20H24N2O4S2
SMILES
COCCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCCOC
InChI
InChI=1S/C20H24N2O4S2/c1-25-13-11-21-19(23)15-7-3-5-9-17(15)27-28-18-10-6-4-8-16(18)20(24)22-12-14-26-2/h3-10H,11-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKey
VTHMIJUJHXDYHA-UHFFFAOYSA-N
Compound name
N-(2-methoxyethyl)-2-[[2-(2-methoxyethylcarbamoyl)phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

420.11774 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.12502 196.3
[M+Na]+ 443.10696 199.4
[M-H]- 419.11046 201.0
[M+NH4]+ 438.15156 205.9
[M+K]+ 459.08090 193.4
[M+H-H2O]+ 403.11500 186.8
[M+HCOO]- 465.11594 208.7
[M+CH3COO]- 479.13159 226.7
[M+Na-2H]- 441.09241 195.7
[M]+ 420.11719 202.2
[M]- 420.11829 202.2
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.