CID 6482379

(6r)-3-(1h-indol-3-ylmethyl)-6-isobutyl-1-methyl-piperazine-2,5-dione

Structural Information

Molecular Formula
C18H23N3O2
SMILES
CC(C)C[C@@H]1C(=O)NC(C(=O)N1C)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C18H23N3O2/c1-11(2)8-16-17(22)20-15(18(23)21(16)3)9-12-10-19-14-7-5-4-6-13(12)14/h4-7,10-11,15-16,19H,8-9H2,1-3H3,(H,20,22)/t15?,16-/m1/s1
InChIKey
ZXMLGZPFSBKFTE-OEMAIJDKSA-N
Compound name
(6R)-3-(1H-indol-3-ylmethyl)-1-methyl-6-(2-methylpropyl)piperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.17902 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18630 177.6
[M+Na]+ 336.16824 185.5
[M-H]- 312.17174 178.7
[M+NH4]+ 331.21284 189.9
[M+K]+ 352.14218 178.7
[M+H-H2O]+ 296.17628 168.9
[M+HCOO]- 358.17722 190.9
[M+CH3COO]- 372.19287 204.9
[M+Na-2H]- 334.15369 176.0
[M]+ 313.17847 175.4
[M]- 313.17957 175.4
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.