CID 205649

18430-27-8

Structural Information

Molecular Formula
C16H16N3O
SMILES
C1=CC=C(C=C1)C(C[N+]2=NOC(=C2)N)C3=CC=CC=C3
InChI
InChI=1S/C16H16N3O/c17-16-12-19(18-20-16)11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,15H,11,17H2/q+1
InChIKey
YVPXNPGVHFRLJI-UHFFFAOYSA-N
Compound name
3-(2,2-diphenylethyl)oxadiazol-3-ium-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

266.12933 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13661 162.6
[M+Na]+ 289.11855 169.1
[M-H]- 265.12205 170.2
[M+NH4]+ 284.16315 175.2
[M+K]+ 305.09249 159.9
[M+H-H2O]+ 249.12659 155.4
[M+HCOO]- 311.12753 184.1
[M+CH3COO]- 325.14318 190.8
[M+Na-2H]- 287.10400 169.9
[M]+ 266.12878 160.4
[M]- 266.12988 160.4
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