CID 18707476

5-(naphthalen-2-yl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C12H9N3O
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=NN=C(O3)N
InChI
InChI=1S/C12H9N3O/c13-12-15-14-11(16-12)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,13,15)
InChIKey
UNYFQKGWGIABDA-UHFFFAOYSA-N
Compound name
5-naphthalen-2-yl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

211.07455 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08183 143.1
[M+Na]+ 234.06377 159.0
[M+NH4]+ 229.10837 152.1
[M+K]+ 250.03771 153.7
[M-H]- 210.06727 149.0
[M+Na-2H]- 232.04922 152.6
[M]+ 211.07400 147.1
[M]- 211.07510 147.1
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