CID 341456

Nsc373599

Structural Information

Molecular Formula
C14H20N2O6S
SMILES
CC1=C(C(=C2N1CS(=O)(=O)C2)COC(=O)NC(C)C)C(=O)OC
InChI
InChI=1S/C14H20N2O6S/c1-8(2)15-14(18)22-5-10-11-6-23(19,20)7-16(11)9(3)12(10)13(17)21-4/h8H,5-7H2,1-4H3,(H,15,18)
InChIKey
OHSIEGUJCSFVMP-UHFFFAOYSA-N
Compound name
methyl 5-methyl-2,2-dioxo-7-(propan-2-ylcarbamoyloxymethyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.10422 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11150 175.1
[M+Na]+ 367.09344 183.3
[M-H]- 343.09694 179.0
[M+NH4]+ 362.13804 194.3
[M+K]+ 383.06738 182.4
[M+H-H2O]+ 327.10148 171.3
[M+HCOO]- 389.10242 191.1
[M+CH3COO]- 403.11807 210.0
[M+Na-2H]- 365.07889 173.2
[M]+ 344.10367 183.8
[M]- 344.10477 183.8
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.