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]+ 324.145476 176.4
[M+Na]+ 346.127418 184.2
[M-H]- 322.130924 176.3
[M+NH4]+ 341.172023 185.3
[M+K]+ 362.101358 175.2
[M+H-H2O]+ 306.135460 166.5
[M+HCOO]- 368.136401 187.6
[M+CH3COO]- 382.152051 184.0
[M+Na-2H]- 344.112866 175.4
[M]+ 323.13765142 170.1
[M]- 323.13874858 170.1
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.