CID 365106

Nsc632133

Structural Information

Molecular Formula
C15H17ClN2O3S2
SMILES
CC(C1=CC2=C(C=C1Cl)N(C(=O)O2)C)SC(=S)N3CCOCC3
InChI
InChI=1S/C15H17ClN2O3S2/c1-9(23-15(22)18-3-5-20-6-4-18)10-7-13-12(8-11(10)16)17(2)14(19)21-13/h7-9H,3-6H2,1-2H3
InChIKey
XPXWUJKAOQFDEU-UHFFFAOYSA-N
Compound name
1-(5-chloro-3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl morpholine-4-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.03693 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.04421 180.3
[M+Na]+ 395.02615 190.6
[M-H]- 371.02965 187.1
[M+NH4]+ 390.07075 192.5
[M+K]+ 411.00009 186.8
[M+H-H2O]+ 355.03419 175.2
[M+HCOO]- 417.03513 182.5
[M+CH3COO]- 431.05078 190.7
[M+Na-2H]- 393.01160 178.0
[M]+ 372.03638 187.0
[M]- 372.03748 187.0
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.