CID 56082

90619-16-2

Structural Information

Molecular Formula
C15H17NO4S2
SMILES
CC(C)COC(=S)SCC(=O)N1C(=O)COC2=CC=CC=C21
InChI
InChI=1S/C15H17NO4S2/c1-10(2)7-20-15(21)22-9-14(18)16-11-5-3-4-6-12(11)19-8-13(16)17/h3-6,10H,7-9H2,1-2H3
InChIKey
RTZXWLZRYBZQMK-UHFFFAOYSA-N
Compound name
O-(2-methylpropyl) [2-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]sulfanylmethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.0599 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.06718 173.3
[M+Na]+ 362.04912 178.9
[M-H]- 338.05262 175.8
[M+NH4]+ 357.09372 185.8
[M+K]+ 378.02306 175.9
[M+H-H2O]+ 322.05716 166.7
[M+HCOO]- 384.05810 178.6
[M+CH3COO]- 398.07375 207.0
[M+Na-2H]- 360.03457 172.5
[M]+ 339.05935 177.8
[M]- 339.06045 177.8
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.