CID 3010830

Wo-00168647

Structural Information

Molecular Formula
C11H11N5OS
SMILES
CCC1=C(CN=C(N1)C2=NC=CS2)C3=NN=CO3
InChI
InChI=1S/C11H11N5OS/c1-2-8-7(10-16-14-6-17-10)5-13-9(15-8)11-12-3-4-18-11/h3-4,6H,2,5H2,1H3,(H,13,15)
InChIKey
YDNQZRKGEMOEJY-UHFFFAOYSA-N
Compound name
2-[6-ethyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-5-yl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.06842 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.07570 154.2
[M+Na]+ 284.05764 166.2
[M-H]- 260.06114 158.7
[M+NH4]+ 279.10224 166.8
[M+K]+ 300.03158 162.2
[M+H-H2O]+ 244.06568 145.7
[M+HCOO]- 306.06662 169.4
[M+CH3COO]- 320.08227 166.3
[M+Na-2H]- 282.04309 155.1
[M]+ 261.06787 157.3
[M]- 261.06897 157.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.