CID 737207

5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C14H13N3
SMILES
CC1=CC(=NC2=CC(=NN12)C3=CC=CC=C3)C
InChI
InChI=1S/C14H13N3/c1-10-8-11(2)17-14(15-10)9-13(16-17)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKey
AZWWKRAUFGDLEV-UHFFFAOYSA-N
Compound name
5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

11
Patents

223.11095 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11823 149.7
[M+Na]+ 246.10017 161.7
[M-H]- 222.10367 154.5
[M+NH4]+ 241.14477 167.3
[M+K]+ 262.07411 156.3
[M+H-H2O]+ 206.10821 140.7
[M+HCOO]- 268.10915 172.1
[M+CH3COO]- 282.12480 163.2
[M+Na-2H]- 244.08562 156.7
[M]+ 223.11040 152.5
[M]- 223.11150 152.5
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