CID 213602

3a,8b-dihydro-2-amino-4-phenyl-4h-indeno(2,1-d)oxazole hydrochloride

Structural Information

Molecular Formula
C16H14N2O
SMILES
C1=CC=C(C=C1)C2C3C(C4=CC=CC=C24)OC(=N3)N
InChI
InChI=1S/C16H14N2O/c17-16-18-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15(14)19-16/h1-9,13-15H,(H2,17,18)
InChIKey
RZAKABXFMQEBHX-UHFFFAOYSA-N
Compound name
4-phenyl-4,8b-dihydro-3aH-indeno[2,1-d][1,3]oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.11061 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.117886 154.3
[M+Na]+ 273.099828 163.8
[M-H]- 249.103334 162.5
[M+NH4]+ 268.144433 174.1
[M+K]+ 289.073768 159.5
[M+H-H2O]+ 233.107870 147.6
[M+HCOO]- 295.108811 176.3
[M+CH3COO]- 309.124461 167.5
[M+Na-2H]- 271.085276 158.6
[M]+ 250.11006142 154.1
[M]- 250.11115858 154.1
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.