CID 67031894

(7s,9as)-7-((benzyloxy)methyl)octahydropyrazino(2,1-c)(1,4)oxazine dioxalic acid salt

Structural Information

Molecular Formula
C15H22N2O2
SMILES
C1COC[C@H]2N1C[C@H](NC2)COCC3=CC=CC=C3
InChI
InChI=1S/C15H22N2O2/c1-2-4-13(5-3-1)10-19-11-14-9-17-6-7-18-12-15(17)8-16-14/h1-5,14-16H,6-12H2/t14-,15-/m0/s1
InChIKey
SFXMAWRMNYQCON-GJZGRUSLSA-N
Compound name
(7S,9aS)-7-(phenylmethoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

262.16812 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.175396 161.7
[M+Na]+ 285.157338 164.6
[M-H]- 261.160844 163.7
[M+NH4]+ 280.201943 173.7
[M+K]+ 301.131278 161.5
[M+H-H2O]+ 245.165380 151.8
[M+HCOO]- 307.166321 173.6
[M+CH3COO]- 321.181971 170.3
[M+Na-2H]- 283.142786 166.7
[M]+ 262.16757142 155.6
[M]- 262.16866858 155.6
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

patents stripe