CID 166451486

Chebi:231272

Structural Information

Molecular Formula
C15H19N5O4
SMILES
C1=CC(=C(C=C1/C=C\2/C(=O)N[C@H](C(=O)N2)CCCN=C(N)N)O)O
InChI
InChI=1S/C15H19N5O4/c16-15(17)18-5-1-2-9-13(23)20-10(14(24)19-9)6-8-3-4-11(21)12(22)7-8/h3-4,6-7,9,21-22H,1-2,5H2,(H,19,24)(H,20,23)(H4,16,17,18)/b10-6-/t9-/m0/s1
InChIKey
NYFFKTPLJWCNGB-LKJZUNMESA-N
Compound name
2-[3-[(2S,5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3,6-dioxopiperazin-2-yl]propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1437 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15098 177.4
[M+Na]+ 356.13292 183.4
[M+NH4]+ 351.17752 179.4
[M+K]+ 372.10686 181.0
[M-H]- 332.13642 176.9
[M+Na-2H]- 354.11837 177.7
[M]+ 333.14315 177.0
[M]- 333.14425 177.0
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.