CID 2777692

115930-92-2

Structural Information

Molecular Formula
C14H9F3N4O
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=CC=NC3=C(C=NN23)C(=O)N
InChI
InChI=1S/C14H9F3N4O/c15-14(16,17)9-3-1-2-8(6-9)11-4-5-19-13-10(12(18)22)7-20-21(11)13/h1-7H,(H2,18,22)
InChIKey
NISNJNISVXZUQS-UHFFFAOYSA-N
Compound name
7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

25
Patents

306.07285 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08013 165.5
[M+Na]+ 329.06207 176.9
[M-H]- 305.06557 166.3
[M+NH4]+ 324.10667 178.8
[M+K]+ 345.03601 170.7
[M+H-H2O]+ 289.07011 154.1
[M+HCOO]- 351.07105 182.9
[M+CH3COO]- 365.08670 205.1
[M+Na-2H]- 327.04752 170.2
[M]+ 306.07230 163.1
[M]- 306.07340 163.1
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