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 176.6
[M-H]- 305.15068 173.9
[M+NH4]+ 324.19178 185.2
[M+K]+ 345.12112 174.5
[M+H-H2O]+ 289.15522 164.1
[M+HCOO]- 351.15616 186.1
[M+CH3COO]- 365.17181 202.6
[M+Na-2H]- 327.13263 174.7
[M]+ 306.15741 168.9
[M]- 306.15851 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.