CID 4773601

7-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H7N3O2S
SMILES
C1=CSC(=C1)C2=CC=NC3=C(C=NN23)C(=O)O
InChI
InChI=1S/C11H7N3O2S/c15-11(16)7-6-13-14-8(3-4-12-10(7)14)9-2-1-5-17-9/h1-6H,(H,15,16)
InChIKey
OURWKHLDAVYMGO-UHFFFAOYSA-N
Compound name
7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

468
Patents

245.0259 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.03318 150.7
[M+Na]+ 268.01512 163.1
[M-H]- 244.01862 155.3
[M+NH4]+ 263.05972 169.0
[M+K]+ 283.98906 159.0
[M+H-H2O]+ 228.02316 144.1
[M+HCOO]- 290.02410 168.5
[M+CH3COO]- 304.03975 164.1
[M+Na-2H]- 266.00057 152.7
[M]+ 245.02535 155.5
[M]- 245.02645 155.5
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

patents stripe