CID 13379294

Brn 4501480

Structural Information

Molecular Formula
C9H11N3O3S
SMILES
CCOC(=O)NC1=CN=C2N(C1=O)CCS2
InChI
InChI=1S/C9H11N3O3S/c1-2-15-9(14)11-6-5-10-8-12(7(6)13)3-4-16-8/h5H,2-4H2,1H3,(H,11,14)
InChIKey
ZAQHQIQLTBIPDC-UHFFFAOYSA-N
Compound name
ethyl N-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.05211 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05939 149.3
[M+Na]+ 264.04133 158.5
[M-H]- 240.04483 151.7
[M+NH4]+ 259.08593 167.6
[M+K]+ 280.01527 156.0
[M+H-H2O]+ 224.04937 142.6
[M+HCOO]- 286.05031 166.4
[M+CH3COO]- 300.06596 189.5
[M+Na-2H]- 262.02678 152.4
[M]+ 241.05156 153.0
[M]- 241.05266 153.0
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.