CID 342834

Nsc380722

Structural Information

Molecular Formula
C13H19N3O4S
SMILES
CC1=C(C(=C2N1CSC2)COC(=O)NC)COC(=O)NC
InChI
InChI=1S/C13H19N3O4S/c1-8-9(4-19-12(17)14-2)10(5-20-13(18)15-3)11-6-21-7-16(8)11/h4-7H2,1-3H3,(H,14,17)(H,15,18)
InChIKey
MUSHRJCTPWZZRK-UHFFFAOYSA-N
Compound name
[5-methyl-7-(methylcarbamoyloxymethyl)-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

313.10962 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11690 172.2
[M+Na]+ 336.09884 178.8
[M-H]- 312.10234 175.9
[M+NH4]+ 331.14344 190.5
[M+K]+ 352.07278 177.3
[M+H-H2O]+ 296.10688 166.3
[M+HCOO]- 358.10782 190.1
[M+CH3COO]- 372.12347 206.9
[M+Na-2H]- 334.08429 170.6
[M]+ 313.10907 178.0
[M]- 313.11017 178.0
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.