CID 3073476

149246-67-3

Structural Information

Molecular Formula
C12H11N3OS
SMILES
CCN1C=CC(=O)N2C1=CC(=N2)C3=CC=CS3
InChI
InChI=1S/C12H11N3OS/c1-2-14-6-5-12(16)15-11(14)8-9(13-15)10-4-3-7-17-10/h3-8H,2H2,1H3
InChIKey
HRRZBYPYLUKEMM-UHFFFAOYSA-N
Compound name
4-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.06229 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.069566 152.2
[M+Na]+ 268.051508 166.1
[M-H]- 244.055014 158.3
[M+NH4]+ 263.096113 171.8
[M+K]+ 284.025448 161.5
[M+H-H2O]+ 228.059550 145.4
[M+HCOO]- 290.060491 172.0
[M+CH3COO]- 304.076141 166.5
[M+Na-2H]- 266.036956 154.1
[M]+ 245.06174142 158.7
[M]- 245.06283858 158.7
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.