CID 51136281

Dehydrohistidyltryptophyldiketopiperazine

Structural Information

Molecular Formula
C17H15N5O2
SMILES
C1=CC=C2C(=C1)C(=CN2)CC3C(=O)N/C(=C/C4=CN=CN4)/C(=O)N3
InChI
InChI=1S/C17H15N5O2/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/h1-4,6-9,14,19H,5H2,(H,18,20)(H,21,24)(H,22,23)/b15-6+
InChIKey
ITXQTTPWGBFRNK-GIDUJCDVSA-N
Compound name
(3E)-3-(1H-imidazol-5-ylmethylidene)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

321.1226 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12988 176.6
[M+Na]+ 344.11182 188.2
[M+NH4]+ 339.15642 180.9
[M+K]+ 360.08576 186.4
[M-H]- 320.11532 176.8
[M+Na-2H]- 342.09727 180.6
[M]+ 321.12205 177.7
[M]- 321.12315 177.7
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.