CID 135765145

39844-59-2

Structural Information

Molecular Formula
C17H22N2O4
SMILES
CCC1(C(=O)C(CN(C1=O)/N=C/C2=CC(=C(C=C2)O)O)C)CC
InChI
InChI=1S/C17H22N2O4/c1-4-17(5-2)15(22)11(3)10-19(16(17)23)18-9-12-6-7-13(20)14(21)8-12/h6-9,11,20-21H,4-5,10H2,1-3H3/b18-9+
InChIKey
ZOWLGODKDPZGHV-GIJQJNRQSA-N
Compound name
1-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3,3-diethyl-5-methylpiperidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.15796 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.165236 172.7
[M+Na]+ 341.147178 180.7
[M-H]- 317.150684 177.2
[M+NH4]+ 336.191783 187.5
[M+K]+ 357.121118 176.9
[M+H-H2O]+ 301.155220 165.6
[M+HCOO]- 363.156161 191.3
[M+CH3COO]- 377.171811 209.6
[M+Na-2H]- 339.132626 173.7
[M]+ 318.15741142 173.0
[M]- 318.15850858 173.0
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.