CID 3065084

106613-68-7

Structural Information

Molecular Formula
C18H18F3N3O2
SMILES
CC1=C(C(N2C(=CC=N2)N1)C3=CC=CC=C3C(F)(F)F)C(=O)OC(C)C
InChI
InChI=1S/C18H18F3N3O2/c1-10(2)26-17(25)15-11(3)23-14-8-9-22-24(14)16(15)12-6-4-5-7-13(12)18(19,20)21/h4-10,16,23H,1-3H3
InChIKey
LECLBIWUKZTKQA-UHFFFAOYSA-N
Compound name
propan-2-yl 5-methyl-7-[2-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

365.1351 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.14238 185.4
[M+Na]+ 388.12432 193.8
[M-H]- 364.12782 184.3
[M+NH4]+ 383.16892 196.1
[M+K]+ 404.09826 188.0
[M+H-H2O]+ 348.13236 174.2
[M+HCOO]- 410.13330 195.7
[M+CH3COO]- 424.14895 214.2
[M+Na-2H]- 386.10977 184.2
[M]+ 365.13455 182.3
[M]- 365.13565 182.3
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