CID 15563754

(3s,6s)-3-(1h-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione

Structural Information

Molecular Formula
C14H15N3O2
SMILES
C[C@H]1C(=O)N[C@H](C(=O)N1)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C14H15N3O2/c1-8-13(18)17-12(14(19)16-8)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7-8,12,15H,6H2,1H3,(H,16,19)(H,17,18)/t8-,12-/m0/s1
InChIKey
VDMMFAOUINDEGC-UFBFGSQYSA-N
Compound name
(3S,6S)-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

257.11642 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12370 160.0
[M+Na]+ 280.10564 168.8
[M-H]- 256.10914 160.1
[M+NH4]+ 275.15024 173.8
[M+K]+ 296.07958 161.5
[M+H-H2O]+ 240.11368 151.9
[M+HCOO]- 302.11462 174.3
[M+CH3COO]- 316.13027 169.9
[M+Na-2H]- 278.09109 162.0
[M]+ 257.11587 155.0
[M]- 257.11697 155.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.