CID 135451575

Akos000279485

Structural Information

Molecular Formula
C14H20N2O4
SMILES
CC(=C(C=NCCN=CC(=C(C)O)C(=O)C)C(=O)C)O
InChI
InChI=1S/C14H20N2O4/c1-9(17)13(10(2)18)7-15-5-6-16-8-14(11(3)19)12(4)20/h7-8,17,19H,5-6H2,1-4H3
InChIKey
WONQCBHLXHSRQS-UHFFFAOYSA-N
Compound name
3-[2-[(2-acetyl-3-hydroxybut-2-enylidene)amino]ethyliminomethyl]-4-hydroxypent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

280.1423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14958 168.2
[M+Na]+ 303.13152 171.0
[M-H]- 279.13502 167.6
[M+NH4]+ 298.17612 183.0
[M+K]+ 319.10546 170.1
[M+H-H2O]+ 263.13956 161.8
[M+HCOO]- 325.14050 187.7
[M+CH3COO]- 339.15615 206.7
[M+Na-2H]- 301.11697 164.3
[M]+ 280.14175 168.2
[M]- 280.14285 168.2
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

patents stripe