CID 132718

Metacytofilin

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

3
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]+ 307.16524 170.8
[M+Na]+ 329.14718 180.5
[M+NH4]+ 324.19178 178.7
[M+K]+ 345.12112 172.6
[M-H]- 305.15068 173.3
[M+Na-2H]- 327.13263 177.2
[M]+ 306.15741 172.9
[M]- 306.15851 172.9
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.