CID 135615629

1-(2,5-dihydroxyphenyl)-1-tetradecanone oxime

Structural Information

Molecular Formula
C20H33NO3
SMILES
CCCCCCCCCCCCC/C(=N\O)/C1=C(C=CC(=C1)O)O
InChI
InChI=1S/C20H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(21-24)18-16-17(22)14-15-20(18)23/h14-16,22-24H,2-13H2,1H3/b21-19+
InChIKey
XECDFMWMUFTYPP-XUTLUUPISA-N
Compound name
2-[(E)-N-hydroxy-C-tridecylcarbonimidoyl]benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.24603 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.253306 186.8
[M+Na]+ 358.235248 189.4
[M-H]- 334.238754 186.1
[M+NH4]+ 353.279853 199.0
[M+K]+ 374.209188 184.6
[M+H-H2O]+ 318.243290 179.0
[M+HCOO]- 380.244231 205.4
[M+CH3COO]- 394.259881 212.0
[M+Na-2H]- 356.220696 185.7
[M]+ 335.24548142 189.7
[M]- 335.24657858 189.7
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.