CID 24066854

Histidyltryptophyldiketopiperazine

Structural Information

Molecular Formula
C17H17N5O2
SMILES
C1=CC=C2C(=C1)C(=CN2)CC3C(=O)NC(C(=O)N3)CC4=CN=CN4
InChI
InChI=1S/C17H17N5O2/c23-16-14(5-10-7-19-13-4-2-1-3-12(10)13)21-17(24)15(22-16)6-11-8-18-9-20-11/h1-4,7-9,14-15,19H,5-6H2,(H,18,20)(H,21,24)(H,22,23)
InChIKey
YNHVZXATNGMVNC-UHFFFAOYSA-N
Compound name
3-(1H-imidazol-5-ylmethyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

0
Patents

323.1382 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14548 177.0
[M+Na]+ 346.12742 188.6
[M+NH4]+ 341.17202 181.6
[M+K]+ 362.10136 186.9
[M-H]- 322.13092 177.5
[M+Na-2H]- 344.11287 181.2
[M]+ 323.13765 178.3
[M]- 323.13875 178.3
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.