CID 10313735

Cyclo(l-arg-l-dehydrotyr)

Structural Information

Molecular Formula
C15H19N5O3
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)N[C@H](C(=O)N2)CCCN=C(N)N)O
InChI
InChI=1S/C15H19N5O3/c16-15(17)18-7-1-2-11-13(22)20-12(14(23)19-11)8-9-3-5-10(21)6-4-9/h3-6,8,11,21H,1-2,7H2,(H,19,23)(H,20,22)(H4,16,17,18)/b12-8-/t11-/m0/s1
InChIKey
AIMUJHSVDYNKJR-LCFDYFRESA-N
Compound name
2-[3-[(2S,5Z)-5-[(4-hydroxyphenyl)methylidene]-3,6-dioxopiperazin-2-yl]propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1488 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.15608 174.3
[M+Na]+ 340.13802 181.0
[M+NH4]+ 335.18262 177.2
[M+K]+ 356.11196 177.5
[M-H]- 316.14152 174.8
[M+Na-2H]- 338.12347 175.9
[M]+ 317.14825 174.4
[M]- 317.14935 174.4
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.