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]+ 273.19615 166.0
[M+Na]+ 295.17809 170.3
[M-H]- 271.18159 172.6
[M+NH4]+ 290.22269 182.5
[M+K]+ 311.15203 167.4
[M+H-H2O]+ 255.18613 157.3
[M+HCOO]- 317.18707 184.8
[M+CH3COO]- 331.20272 176.6
[M+Na-2H]- 293.16354 168.7
[M]+ 272.18832 163.4
[M]- 272.18942 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.