CID 132718

Trans-3-hydroxy-6-(methylamino)-6-(2-methylpropyl)-3-(phenylmethyl)-2,5-morpholinedione

Structural Information

Molecular Formula
C16H22N2O4
SMILES
CC(C)C[C@@]1(C(=O)N[C@](C(=O)O1)(CC2=CC=CC=C2)O)NC
InChI
InChI=1S/C16H22N2O4/c1-11(2)9-16(17-3)13(19)18-15(21,14(20)22-16)10-12-7-5-4-6-8-12/h4-8,11,17,21H,9-10H2,1-3H3,(H,18,19)/t15-,16-/m1/s1
InChIKey
DPVKIQKSCWSCBE-HZPDHXFCSA-N
Compound name
(3R,6R)-3-benzyl-3-hydroxy-6-(methylamino)-6-(2-methylpropyl)morpholine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.15796 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.165236 170.8
[M+Na]+ 329.147178 176.6
[M-H]- 305.150684 173.9
[M+NH4]+ 324.191783 185.2
[M+K]+ 345.121118 174.5
[M+H-H2O]+ 289.155220 164.1
[M+HCOO]- 351.156161 186.1
[M+CH3COO]- 365.171811 202.6
[M+Na-2H]- 327.132626 174.7
[M]+ 306.15741142 168.9
[M]- 306.15850858 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.