CID 146326460

2409948-19-0

Structural Information

Molecular Formula
C18H13F3N6O
SMILES
CN1C(=NC=N1)C(=O)NC2=CN3C(=CC(=N3)C4=CC=CC=C4C(F)(F)F)C=C2
InChI
InChI=1S/C18H13F3N6O/c1-26-16(22-10-23-26)17(28)24-11-6-7-12-8-15(25-27(12)9-11)13-4-2-3-5-14(13)18(19,20)21/h2-10H,1H3,(H,24,28)
InChIKey
ONGGTRAPQXNWNP-UHFFFAOYSA-N
Compound name
2-methyl-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1,2,4-triazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

386.1103 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.11758 186.4
[M+Na]+ 409.09952 197.7
[M-H]- 385.10302 189.1
[M+NH4]+ 404.14412 195.5
[M+K]+ 425.07346 190.4
[M+H-H2O]+ 369.10756 173.2
[M+HCOO]- 431.10850 202.2
[M+CH3COO]- 445.12415 195.6
[M+Na-2H]- 407.08497 188.5
[M]+ 386.10975 186.2
[M]- 386.11085 186.2
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