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

6
Patents

205.1215 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.128776 146.5
[M+Na]+ 228.110718 152.8
[M-H]- 204.114224 149.3
[M+NH4]+ 223.155323 161.8
[M+K]+ 244.084658 150.3
[M+H-H2O]+ 188.118760 138.3
[M+HCOO]- 250.119701 165.9
[M+CH3COO]- 264.135351 184.3
[M+Na-2H]- 226.096166 150.3
[M]+ 205.12095142 143.2
[M]- 205.12204858 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.