CID 72559

49755-48-8

Structural Information

Molecular Formula
C22H24N2O4S2
SMILES
C1COCCN1C(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)N4CCOCC4
InChI
InChI=1S/C22H24N2O4S2/c25-21(23-9-13-27-14-10-23)17-5-1-3-7-19(17)29-30-20-8-4-2-6-18(20)22(26)24-11-15-28-16-12-24/h1-8H,9-16H2
InChIKey
QXJKLHIMKMICAP-UHFFFAOYSA-N
Compound name
[2-[[2-(morpholine-4-carbonyl)phenyl]disulfanyl]phenyl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

444.11774 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.12502 199.6
[M+Na]+ 467.10696 201.8
[M-H]- 443.11046 208.0
[M+NH4]+ 462.15156 202.8
[M+K]+ 483.08090 198.3
[M+H-H2O]+ 427.11500 189.6
[M+HCOO]- 489.11594 201.3
[M+CH3COO]- 503.13159 205.4
[M+Na-2H]- 465.09241 197.4
[M]+ 444.11719 196.5
[M]- 444.11829 196.5
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