CID 494794

Nsc632184

Structural Information

Molecular Formula
C14H18N2O3S2
SMILES
CCCSSC1C(C(=O)N1)NC(=O)COC2=CC=CC=C2
InChI
InChI=1S/C14H18N2O3S2/c1-2-8-20-21-14-12(13(18)16-14)15-11(17)9-19-10-6-4-3-5-7-10/h3-7,12,14H,2,8-9H2,1H3,(H,15,17)(H,16,18)
InChIKey
STQPPDVIRNKFTL-UHFFFAOYSA-N
Compound name
N-[2-oxo-4-(propyldisulfanyl)azetidin-3-yl]-2-phenoxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.0759 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08318 166.7
[M+Na]+ 349.06512 168.5
[M-H]- 325.06862 168.3
[M+NH4]+ 344.10972 171.8
[M+K]+ 365.03906 166.2
[M+H-H2O]+ 309.07316 151.6
[M+HCOO]- 371.07410 174.5
[M+CH3COO]- 385.08975 207.2
[M+Na-2H]- 347.05057 164.7
[M]+ 326.07535 176.7
[M]- 326.07645 176.7
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.