CID 23726384

934371-48-9

Structural Information

Molecular Formula
C17H24N2O4
SMILES
C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)OC)NN=C2CCCCC2
InChI
InChI=1S/C17H24N2O4/c1-17(16(22)23-2,19-18-13-6-4-3-5-7-13)11-12-8-9-14(20)15(21)10-12/h8-10,19-21H,3-7,11H2,1-2H3/t17-/m0/s1
InChIKey
VBGRIWCNLNENAX-KRWDZBQOSA-N
Compound name
methyl (2S)-2-(2-cyclohexylidenehydrazinyl)-3-(3,4-dihydroxyphenyl)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1736 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.180876 174.4
[M+Na]+ 343.162818 176.7
[M-H]- 319.166324 178.6
[M+NH4]+ 338.207423 186.9
[M+K]+ 359.136758 174.3
[M+H-H2O]+ 303.170860 166.6
[M+HCOO]- 365.171801 192.6
[M+CH3COO]- 379.187451 208.9
[M+Na-2H]- 341.148266 176.9
[M]+ 320.17305142 170.8
[M]- 320.17414858 170.8
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.