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

literature stripe

Patent stripe

patents stripe