CID 342836

Nsc380724

Structural Information

Molecular Formula
C13H19N3O6S
SMILES
CC1=C(C(=C2N1CS(=O)(=O)C2)COC(=O)NC)COC(=O)NC
InChI
InChI=1S/C13H19N3O6S/c1-8-9(4-21-12(17)14-2)10(5-22-13(18)15-3)11-6-23(19,20)7-16(8)11/h4-7H2,1-3H3,(H,14,17)(H,15,18)
InChIKey
CLBYLARREKGXIK-UHFFFAOYSA-N
Compound name
[5-methyl-7-(methylcarbamoyloxymethyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-6-yl]methyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.09946 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.10674 173.4
[M+Na]+ 368.08868 181.4
[M-H]- 344.09218 177.3
[M+NH4]+ 363.13328 192.2
[M+K]+ 384.06262 180.2
[M+H-H2O]+ 328.09672 169.0
[M+HCOO]- 390.09766 191.8
[M+CH3COO]- 404.11331 210.8
[M+Na-2H]- 366.07413 173.9
[M]+ 345.09891 181.4
[M]- 345.10001 181.4
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

No patent data available for this compound.