CID 101064669

Cyclo(l-arg-l-tyr)

Structural Information

Molecular Formula
C15H21N5O3
SMILES
C1=CC(=CC=C1C[C@H]2C(=O)N[C@H](C(=O)N2)CCCN=C(N)N)O
InChI
InChI=1S/C15H21N5O3/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/h3-6,11-12,21H,1-2,7-8H2,(H,19,23)(H,20,22)(H4,16,17,18)/t11-,12-/m0/s1
InChIKey
VFPZSTOWKCRDSF-RYUDHWBXSA-N
Compound name
2-[3-[(2S,5S)-5-[(4-hydroxyphenyl)methyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.16443 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.17171 175.6
[M+Na]+ 342.15365 179.4
[M-H]- 318.15715 175.6
[M+NH4]+ 337.19825 184.3
[M+K]+ 358.12759 173.9
[M+H-H2O]+ 302.16169 166.4
[M+HCOO]- 364.16263 191.7
[M+CH3COO]- 378.17828 210.9
[M+Na-2H]- 340.13910 174.9
[M]+ 319.16388 167.2
[M]- 319.16498 167.2
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.