CID 3058481

(+-)-cis-3-butylimino-1-phenylhexahydro-3h-oxazolo(3,4-a)pyridine hydrochloride

Structural Information

Molecular Formula
C17H24N2O
SMILES
CCCCN=C1N2CCCC[C@@H]2[C@@H](O1)C3=CC=CC=C3
InChI
InChI=1S/C17H24N2O/c1-2-3-12-18-17-19-13-8-7-11-15(19)16(20-17)14-9-5-4-6-10-14/h4-6,9-10,15-16H,2-3,7-8,11-13H2,1H3/t15-,16+/m1/s1
InChIKey
DBTGAWCDQOWTFA-CVEARBPZSA-N
Compound name
(1S,8aR)-N-butyl-1-phenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.18887 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.196146 166.0
[M+Na]+ 295.178088 170.3
[M-H]- 271.181594 172.6
[M+NH4]+ 290.222693 182.5
[M+K]+ 311.152028 167.4
[M+H-H2O]+ 255.186130 157.3
[M+HCOO]- 317.187071 184.8
[M+CH3COO]- 331.202721 176.6
[M+Na-2H]- 293.163536 168.7
[M]+ 272.18832142 163.4
[M]- 272.18941858 163.4
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

No patent data available for this compound.