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

1
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

patents stripe