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

18
Patents

262.16812 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 161.7
[M+Na]+ 285.15734 164.6
[M-H]- 261.16084 163.7
[M+NH4]+ 280.20194 173.7
[M+K]+ 301.13128 161.5
[M+H-H2O]+ 245.16538 151.8
[M+HCOO]- 307.16632 173.6
[M+CH3COO]- 321.18197 170.3
[M+Na-2H]- 283.14279 166.7
[M]+ 262.16757 155.6
[M]- 262.16867 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