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 159.3
[M+Na]+ 289.11855 175.7
[M+NH4]+ 284.16315 168.5
[M+K]+ 305.09249 171.0
[M-H]- 265.12205 168.0
[M+Na-2H]- 287.10400 170.6
[M]+ 266.12878 164.5
[M]- 266.12988 164.5
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