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]+ 251.11789 154.3
[M+Na]+ 273.09983 163.8
[M-H]- 249.10333 162.5
[M+NH4]+ 268.14443 174.1
[M+K]+ 289.07377 159.5
[M+H-H2O]+ 233.10787 147.6
[M+HCOO]- 295.10881 176.3
[M+CH3COO]- 309.12446 167.5
[M+Na-2H]- 271.08528 158.6
[M]+ 250.11006 154.1
[M]- 250.11116 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.