CID 385805

145694-86-6

Structural Information

Molecular Formula
C10H11N3O3S
SMILES
CCOC(=O)CC1=NN2C(=O)C=C(N=C2S1)C
InChI
InChI=1S/C10H11N3O3S/c1-3-16-9(15)5-7-12-13-8(14)4-6(2)11-10(13)17-7/h4H,3,5H2,1-2H3
InChIKey
MQMVOCWCDBOYOM-UHFFFAOYSA-N
Compound name
ethyl 2-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

253.05211 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05939 152.4
[M+Na]+ 276.04133 165.0
[M-H]- 252.04483 154.6
[M+NH4]+ 271.08593 169.7
[M+K]+ 292.01527 161.8
[M+H-H2O]+ 236.04937 145.6
[M+HCOO]- 298.05031 169.8
[M+CH3COO]- 312.06596 191.6
[M+Na-2H]- 274.02678 155.2
[M]+ 253.05156 160.9
[M]- 253.05266 160.9
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.