CID 3050317

Octahydro-3-(4-chlorophenyl)pyrido(2,1-c)(1,4)oxazine hydrochloride

Structural Information

Molecular Formula
C14H18ClNO
SMILES
C1CCN2CC(OCC2C1)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H18ClNO/c15-12-6-4-11(5-7-12)14-9-16-8-2-1-3-13(16)10-17-14/h4-7,13-14H,1-3,8-10H2
InChIKey
YZMIYOJXWYVADW-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.1077 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11498 156.7
[M+Na]+ 274.09692 162.3
[M-H]- 250.10042 161.9
[M+NH4]+ 269.14152 172.6
[M+K]+ 290.07086 158.3
[M+H-H2O]+ 234.10496 148.7
[M+HCOO]- 296.10590 166.9
[M+CH3COO]- 310.12155 167.2
[M+Na-2H]- 272.08237 161.3
[M]+ 251.10715 152.6
[M]- 251.10825 152.6
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.