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]+ 336.25331 186.8
[M+Na]+ 358.23525 189.4
[M-H]- 334.23875 186.1
[M+NH4]+ 353.27985 199.0
[M+K]+ 374.20919 184.6
[M+H-H2O]+ 318.24329 179.0
[M+HCOO]- 380.24423 205.4
[M+CH3COO]- 394.25988 212.0
[M+Na-2H]- 356.22070 185.7
[M]+ 335.24548 189.7
[M]- 335.24658 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.