CID 46907762

1380716-06-2

Structural Information

Molecular Formula
C17H14N4O
SMILES
CC1=CC(=NC2=C(C=NN12)C(=O)NC3=CC=C(C=C3)C#C)C
InChI
InChI=1S/C17H14N4O/c1-4-13-5-7-14(8-6-13)20-17(22)15-10-18-21-12(3)9-11(2)19-16(15)21/h1,5-10H,2-3H3,(H,20,22)
InChIKey
HVZPJBKUFRREQC-UHFFFAOYSA-N
Compound name
N-(4-ethynylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

47
Patents

290.11676 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.124036 171.1
[M+Na]+ 313.105978 183.2
[M-H]- 289.109484 172.2
[M+NH4]+ 308.150583 183.0
[M+K]+ 329.079918 175.0
[M+H-H2O]+ 273.114020 154.9
[M+HCOO]- 335.114961 186.3
[M+CH3COO]- 349.130611 180.3
[M+Na-2H]- 311.091426 173.1
[M]+ 290.11621142 167.3
[M]- 290.11730858 167.3
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

patents stripe