CID 56843437

Brn 4543606

Structural Information

Molecular Formula

C₁₂H₁₆N₄O₄S

SMILES

CC(C)COC(=O)NNC(=O)C1=CN=C2N(C1=O)CCS2

InChI

InChI=1S/C12H16N4O4S/c1-7(2)6-20-12(19)15-14-9(17)8-5-13-11-16(10(8)18)3-4-21-11/h5,7H,3-4,6H2,1-2H3,(H,14,17)(H,15,19)

InChIKey

LDLYXKOHKRPYIP-UHFFFAOYSA-N

Compound name

2-methylpropyl 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: 312.08923 Da
Monoisotopic Mass: 1.5
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]+	313.096506	168.3
[M+Na]+	335.078448	174.5
[M-H]-	311.081954	170.3
[M+NH4]+	330.123053	183.0
[M+K]+	351.052388	172.6
[M+H-H2O]+	295.086490	161.0
[M+HCOO]-	357.087431	183.7
[M+CH3COO]-	371.103081	205.5
[M+Na-2H]-	333.063896	169.1
[M]+	312.08868142	171.7
[M]-	312.08977858	171.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.