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]+ 321.18088 174.4
[M+Na]+ 343.16282 176.7
[M-H]- 319.16632 178.6
[M+NH4]+ 338.20742 186.9
[M+K]+ 359.13676 174.3
[M+H-H2O]+ 303.17086 166.6
[M+HCOO]- 365.17180 192.6
[M+CH3COO]- 379.18745 208.9
[M+Na-2H]- 341.14827 176.9
[M]+ 320.17305 170.8
[M]- 320.17415 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.