CID 135765145

Brn 1497475

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]+ 319.16524 172.7
[M+Na]+ 341.14718 180.7
[M-H]- 317.15068 177.2
[M+NH4]+ 336.19178 187.5
[M+K]+ 357.12112 176.9
[M+H-H2O]+ 301.15522 165.6
[M+HCOO]- 363.15616 191.3
[M+CH3COO]- 377.17181 209.6
[M+Na-2H]- 339.13263 173.7
[M]+ 318.15741 173.0
[M]- 318.15851 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.