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]+ 341.149576 181.4
[M+Na]+ 363.131518 187.8
[M-H]- 339.135024 184.3
[M+NH4]+ 358.176123 193.3
[M+K]+ 379.105458 181.9
[M+H-H2O]+ 323.139560 172.0
[M+HCOO]- 385.140501 195.1
[M+CH3COO]- 399.156151 201.9
[M+Na-2H]- 361.116966 185.3
[M]+ 340.14175142 177.2
[M]- 340.14284858 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.