CID 3039201

(e)-hexahydro-1-imino-4-phenyl-1h,3h-pyrido(1,2-c)oxazine hydrochloride

Structural Information

Molecular Formula
C14H18N2O
SMILES
C1CCN2[C@H](C1)[C@@H](COC2=N)C3=CC=CC=C3
InChI
InChI=1S/C14H18N2O/c15-14-16-9-5-4-8-13(16)12(10-17-14)11-6-2-1-3-7-11/h1-3,6-7,12-13,15H,4-5,8-10H2/t12-,13+/m0/s1
InChIKey
KOVLYXVOOXQFFR-QWHCGFSZSA-N
Compound name
(4S,4aR)-4-phenyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c][1,3]oxazin-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1419 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.149176 152.0
[M+Na]+ 253.131118 156.3
[M-H]- 229.134624 157.4
[M+NH4]+ 248.175723 167.4
[M+K]+ 269.105058 153.3
[M+H-H2O]+ 213.139160 143.3
[M+HCOO]- 275.140101 168.1
[M+CH3COO]- 289.155751 162.5
[M+Na-2H]- 251.116566 157.8
[M]+ 230.14135142 144.5
[M]- 230.14244858 144.5
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.