CID 13379290

Brn 4552515

Structural Information

Molecular Formula
C10H12N4O4S
SMILES
CCOC(=O)NNC(=O)C1=CN=C2N(C1=O)CCS2
InChI
InChI=1S/C10H12N4O4S/c1-2-18-10(17)13-12-7(15)6-5-11-9-14(8(6)16)3-4-19-9/h5H,2-4H2,1H3,(H,12,15)(H,13,17)
InChIKey
BZAOSCMELWMROS-UHFFFAOYSA-N
Compound name
ethyl N-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.05792 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06520 159.2
[M+Na]+ 307.04714 166.6
[M-H]- 283.05064 161.4
[M+NH4]+ 302.09174 175.1
[M+K]+ 323.02108 164.5
[M+H-H2O]+ 267.05518 152.0
[M+HCOO]- 329.05612 176.2
[M+CH3COO]- 343.07177 198.6
[M+Na-2H]- 305.03259 161.9
[M]+ 284.05737 162.4
[M]- 284.05847 162.4
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.