CID 160691

Sidnofen

Structural Information

Molecular Formula
C11H15N3O
SMILES
CC(CC1=CC=CC=C1)N2C=C(ON2)N
InChI
InChI=1S/C11H15N3O/c1-9(14-8-11(12)15-13-14)7-10-5-3-2-4-6-10/h2-6,8-9,13H,7,12H2,1H3
InChIKey
KOQZQADGHIEABV-UHFFFAOYSA-N
Compound name
3-(1-phenylpropan-2-yl)-2H-oxadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

2
Patents

205.1215 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.12878 146.5
[M+Na]+ 228.11072 152.8
[M-H]- 204.11422 149.3
[M+NH4]+ 223.15532 161.8
[M+K]+ 244.08466 150.3
[M+H-H2O]+ 188.11876 138.3
[M+HCOO]- 250.11970 165.9
[M+CH3COO]- 264.13535 184.3
[M+Na-2H]- 226.09617 150.3
[M]+ 205.12095 143.2
[M]- 205.12205 143.2
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

No patent data available for this compound.