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]+ 231.14918 152.0
[M+Na]+ 253.13112 156.3
[M-H]- 229.13462 157.4
[M+NH4]+ 248.17572 167.4
[M+K]+ 269.10506 153.3
[M+H-H2O]+ 213.13916 143.3
[M+HCOO]- 275.14010 168.1
[M+CH3COO]- 289.15575 162.5
[M+Na-2H]- 251.11657 157.8
[M]+ 230.14135 144.5
[M]- 230.14245 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.