CID 135429368

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

Structural Information

Molecular Formula
C18H13N3O2
SMILES
CC1=C(N=CC=C1)C2=NOC(=N2)C3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C18H13N3O2/c1-11-5-4-10-19-16(11)17-20-18(23-21-17)15-13-7-3-2-6-12(13)8-9-14(15)22/h2-10,22H,1H3
InChIKey
OIPPFODUMZTGHE-UHFFFAOYSA-N
Compound name
1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

303.10077 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.108046 170.1
[M+Na]+ 326.089988 181.9
[M-H]- 302.093494 177.6
[M+NH4]+ 321.134593 181.8
[M+K]+ 342.063928 176.2
[M+H-H2O]+ 286.098030 159.9
[M+HCOO]- 348.098971 190.1
[M+CH3COO]- 362.114621 182.0
[M+Na-2H]- 324.075436 176.2
[M]+ 303.10022142 173.4
[M]- 303.10131858 173.4
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