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 167.8
[M+Na]+ 303.13422 174.8
[M-H]- 279.13772 175.6
[M+NH4]+ 298.17882 180.2
[M+K]+ 319.10816 165.4
[M+H-H2O]+ 263.14226 160.6
[M+HCOO]- 325.14320 188.9
[M+CH3COO]- 339.15885 194.9
[M+Na-2H]- 301.11967 173.8
[M]+ 280.14445 166.4
[M]- 280.14555 166.4
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