CID 205196

17583-78-7

Structural Information

Molecular Formula
C17H18N3O
SMILES
CC(CC1=CC=CC=C1)[N+]2=NOC(=C2C3=CC=CC=C3)N
InChI
InChI=1S/C17H18N3O/c1-13(12-14-8-4-2-5-9-14)20-16(17(18)21-19-20)15-10-6-3-7-11-15/h2-11,13H,12,18H2,1H3/q+1
InChIKey
CAKNFQKDXBJDIR-UHFFFAOYSA-N
Compound name
4-phenyl-3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

280.145 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.15228 164.0
[M+Na]+ 303.13422 180.6
[M+NH4]+ 298.17882 173.0
[M+K]+ 319.10816 175.8
[M-H]- 279.13772 172.8
[M+Na-2H]- 301.11967 174.8
[M]+ 280.14445 169.3
[M]- 280.14555 169.3
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