CID 136270253

Ipfunastqowbgi-uhfffaoysa-n

Structural Information

Molecular Formula

C₂₆H₄₄N₂O₂

SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C(=NO)C(=NO)CCCCCC

InChI

InChI=1S/C26H44N2O2/c1-3-5-7-9-10-11-12-13-14-15-17-23-19-21-24(22-20-23)26(28-30)25(27-29)18-16-8-6-4-2/h19-22,29-30H,3-18H2,1-2H3

InChIKey

IPFUNASTQOWBGI-UHFFFAOYSA-N

Compound name

N-[1-(4-dodecylphenyl)-1-hydroxyiminooctan-2-ylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 416.34027 Da
Monoisotopic Mass: 10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	417.347546	213.4
[M+Na]+	439.329488	212.7
[M-H]-	415.332994	214.0
[M+NH4]+	434.374093	223.0
[M+K]+	455.303428	207.5
[M+H-H2O]+	399.337530	203.7
[M+HCOO]-	461.338471	233.1
[M+CH3COO]-	475.354121	236.0
[M+Na-2H]-	437.314936	210.0
[M]+	416.33972142	218.3
[M]-	416.34081858	218.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe