CID 129909556

Eutypellazine m

Structural Information

Molecular Formula
C19H20N2O4
SMILES
CO[C@@]1(C(=O)N[C@](C(=O)N1)(CC2=CC=CC=C2)O)CC3=CC=CC=C3
InChI
InChI=1S/C19H20N2O4/c1-25-19(13-15-10-6-3-7-11-15)17(23)20-18(24,16(22)21-19)12-14-8-4-2-5-9-14/h2-11,24H,12-13H2,1H3,(H,20,23)(H,21,22)/t18-,19-/m1/s1
InChIKey
GEVKFAKZACYOTQ-RTBURBONSA-N
Compound name
(3R,6R)-3,6-dibenzyl-3-hydroxy-6-methoxypiperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1423 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14958 181.4
[M+Na]+ 363.13152 187.8
[M-H]- 339.13502 184.3
[M+NH4]+ 358.17612 193.3
[M+K]+ 379.10546 181.9
[M+H-H2O]+ 323.13956 172.0
[M+HCOO]- 385.14050 195.1
[M+CH3COO]- 399.15615 201.9
[M+Na-2H]- 361.11697 185.3
[M]+ 340.14175 177.2
[M]- 340.14285 177.2
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.