CID 4767637

827591-57-1

Structural Information

Molecular Formula
C13H16F3N3O2
SMILES
CCOC(=O)C1=C2NC(CC(N2N=C1)C(F)(F)F)C3CC3
InChI
InChI=1S/C13H16F3N3O2/c1-2-21-12(20)8-6-17-19-10(13(14,15)16)5-9(7-3-4-7)18-11(8)19/h6-7,9-10,18H,2-5H2,1H3
InChIKey
YMQLVZHHLOBRQO-UHFFFAOYSA-N
Compound name
ethyl 5-cyclopropyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.11948 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.12676 172.9
[M+Na]+ 326.10870 179.7
[M+NH4]+ 321.15330 176.7
[M+K]+ 342.08264 179.3
[M-H]- 302.11220 174.2
[M+Na-2H]- 324.09415 174.9
[M]+ 303.11893 174.6
[M]- 303.12003 174.6
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.