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

8
Patents

211.07455 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.081826 142.6
[M+Na]+ 234.063768 153.8
[M-H]- 210.067274 148.9
[M+NH4]+ 229.108373 159.8
[M+K]+ 250.037708 150.2
[M+H-H2O]+ 194.071810 134.4
[M+HCOO]- 256.072751 166.8
[M+CH3COO]- 270.088401 156.6
[M+Na-2H]- 232.049216 151.7
[M]+ 211.07400142 144.3
[M]- 211.07509858 144.3
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