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]+ 258.123696 160.0
[M+Na]+ 280.105638 168.8
[M-H]- 256.109144 160.1
[M+NH4]+ 275.150243 173.8
[M+K]+ 296.079578 161.5
[M+H-H2O]+ 240.113680 151.9
[M+HCOO]- 302.114621 174.3
[M+CH3COO]- 316.130271 169.9
[M+Na-2H]- 278.091086 162.0
[M]+ 257.11587142 155.0
[M]- 257.11696858 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

literature stripe

Patent stripe

patents stripe