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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09651 168.7
[M+Na]+ 335.07845 175.2
[M+NH4]+ 330.12305 173.4
[M+K]+ 351.05239 172.5
[M-H]- 311.08195 167.6
[M+Na-2H]- 333.06390 169.8
[M]+ 312.08868 169.1
[M]- 312.08978 169.1
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.