CID 135429389

1-[3-(5-trifluoromethyl-pyridin-2-yl)-[1,2,4]oxadiazol-5-yl]-naphthalen-2-ol

Structural Information

Molecular Formula
C18H10F3N3O2
SMILES
C1=CC=C2C(=C1)C=CC(=C2C3=NC(=NO3)C4=NC=C(C=C4)C(F)(F)F)O
InChI
InChI=1S/C18H10F3N3O2/c19-18(20,21)11-6-7-13(22-9-11)16-23-17(26-24-16)15-12-4-2-1-3-10(12)5-8-14(15)25/h1-9,25H
InChIKey
NSEVECVQXRNZMT-UHFFFAOYSA-N
Compound name
1-[3-[5-(trifluoromethyl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

357.0725 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.07978 180.3
[M+Na]+ 380.06172 192.7
[M-H]- 356.06522 184.2
[M+NH4]+ 375.10632 189.8
[M+K]+ 396.03566 186.1
[M+H-H2O]+ 340.06976 167.8
[M+HCOO]- 402.07070 195.4
[M+CH3COO]- 416.08635 190.6
[M+Na-2H]- 378.04717 185.5
[M]+ 357.07195 180.1
[M]- 357.07305 180.1
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