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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	285.065196	159.2
[M+Na]+	307.047138	166.6
[M-H]-	283.050644	161.4
[M+NH4]+	302.091743	175.1
[M+K]+	323.021078	164.5
[M+H-H2O]+	267.055180	152.0
[M+HCOO]-	329.056121	176.2
[M+CH3COO]-	343.071771	198.6
[M+Na-2H]-	305.032586	161.9
[M]+	284.05737142	162.4
[M]-	284.05846858	162.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.