CID 6372062

1,6-hexanedione, 1,6-bis(4-(hexyloxy)phenyl)-, dioxime

Structural Information

Molecular Formula
C30H44N2O4
SMILES
CCCCCCOC1=CC=C(C=C1)/C(=N\O)/CCCC/C(=N/O)/C2=CC=C(C=C2)OCCCCCC
InChI
InChI=1S/C30H44N2O4/c1-3-5-7-11-23-35-27-19-15-25(16-20-27)29(31-33)13-9-10-14-30(32-34)26-17-21-28(22-18-26)36-24-12-8-6-4-2/h15-22,33-34H,3-14,23-24H2,1-2H3/b31-29-,32-30-
InChIKey
ITWDOTQLTOQBMZ-SZDCHMHBSA-N
Compound name
(NZ)-N-[(6Z)-1,6-bis(4-hexoxyphenyl)-6-hydroxyiminohexylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.3301 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.337376 229.7
[M+Na]+ 519.319318 228.7
[M-H]- 495.322824 233.4
[M+NH4]+ 514.363923 235.4
[M+K]+ 535.293258 223.8
[M+H-H2O]+ 479.327360 218.1
[M+HCOO]- 541.328301 249.6
[M+CH3COO]- 555.343951 248.6
[M+Na-2H]- 517.304766 226.4
[M]+ 496.32955142 236.3
[M]- 496.33064858 236.3
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.