CID 13379296

Brn 4535562

Structural Information

Molecular Formula
C13H11N3O3S
SMILES
C1CSC2=NC=C(C(=O)N21)NC(=O)OC3=CC=CC=C3
InChI
InChI=1S/C13H11N3O3S/c17-11-10(8-14-12-16(11)6-7-20-12)15-13(18)19-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,18)
InChIKey
MYKXOZXKVSJNSP-UHFFFAOYSA-N
Compound name
phenyl 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

289.05212 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.05940 161.1
[M+Na]+ 312.04134 170.0
[M-H]- 288.04484 166.7
[M+NH4]+ 307.08594 177.0
[M+K]+ 328.01528 166.0
[M+H-H2O]+ 272.04938 153.3
[M+HCOO]- 334.05032 178.6
[M+CH3COO]- 348.06597 172.9
[M+Na-2H]- 310.02679 164.8
[M]+ 289.05157 163.8
[M]- 289.05267 163.8
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.