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]+ 252.114976 156.7
[M+Na]+ 274.096918 162.3
[M-H]- 250.100424 161.9
[M+NH4]+ 269.141523 172.6
[M+K]+ 290.070858 158.3
[M+H-H2O]+ 234.104960 148.7
[M+HCOO]- 296.105901 166.9
[M+CH3COO]- 310.121551 167.2
[M+Na-2H]- 272.082366 161.3
[M]+ 251.10715142 152.6
[M]- 251.10824858 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.