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 168.3
[M+Na]+ 335.07845 174.5
[M-H]- 311.08195 170.3
[M+NH4]+ 330.12305 183.0
[M+K]+ 351.05239 172.6
[M+H-H2O]+ 295.08649 161.0
[M+HCOO]- 357.08743 183.7
[M+CH3COO]- 371.10308 205.5
[M+Na-2H]- 333.06390 169.1
[M]+ 312.08868 171.7
[M]- 312.08978 171.7
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.