CID 135465506

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

Structural Information

Molecular Formula
C20H13ClF3N3O
SMILES
CC1=CC(=NN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C20H13ClF3N3O/c1-11-8-16(18-14-5-3-2-4-12(14)6-7-17(18)28)26-27(11)19-15(21)9-13(10-25-19)20(22,23)24/h2-10,28H,1H3
InChIKey
IDXQKIBKXQOPHN-UHFFFAOYSA-N
Compound name
1-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methylpyrazol-3-yl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

403.06992 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.07720 193.0
[M+Na]+ 426.05914 206.7
[M-H]- 402.06264 196.2
[M+NH4]+ 421.10374 203.3
[M+K]+ 442.03308 196.9
[M+H-H2O]+ 386.06718 180.5
[M+HCOO]- 448.06812 203.4
[M+CH3COO]- 462.08377 202.6
[M+Na-2H]- 424.04459 194.7
[M]+ 403.06937 194.6
[M]- 403.07047 194.6
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

patents stripe