CID 135465512

1-[5-methyl-1-[3-(trifluoromethyl)-2-pyridyl]pyrazol-3-yl]naphthalen-2-ol

Structural Information

Molecular Formula
C20H14F3N3O
SMILES
CC1=CC(=NN1C2=C(C=CC=N2)C(F)(F)F)C3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C20H14F3N3O/c1-12-11-16(18-14-6-3-2-5-13(14)8-9-17(18)27)25-26(12)19-15(20(21,22)23)7-4-10-24-19/h2-11,27H,1H3
InChIKey
PUKOACGRDWPDBO-UHFFFAOYSA-N
Compound name
1-[5-methyl-1-[3-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

369.1089 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.11618 187.0
[M+Na]+ 392.09812 199.2
[M-H]- 368.10162 190.2
[M+NH4]+ 387.14272 197.5
[M+K]+ 408.07206 190.5
[M+H-H2O]+ 352.10616 174.3
[M+HCOO]- 414.10710 202.1
[M+CH3COO]- 428.12275 196.7
[M+Na-2H]- 390.08357 189.9
[M]+ 369.10835 185.8
[M]- 369.10945 185.8
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