CID 6518581

1,8-octanedione, 1,8-bis(4-(hexyloxy)phenyl)-, dioxime

Structural Information

Molecular Formula
C32H48N2O4
SMILES
CCCCCCOC1=CC=C(C=C1)/C(=N\O)/CCCCCC/C(=N/O)/C2=CC=C(C=C2)OCCCCCC
InChI
InChI=1S/C32H48N2O4/c1-3-5-7-13-25-37-29-21-17-27(18-22-29)31(33-35)15-11-9-10-12-16-32(34-36)28-19-23-30(24-20-28)38-26-14-8-6-4-2/h17-24,35-36H,3-16,25-26H2,1-2H3/b33-31-,34-32-
InChIKey
KWUMPOBCAXJUOC-WANSBIPISA-N
Compound name
(NZ)-N-[(8Z)-1,8-bis(4-hexoxyphenyl)-8-hydroxyiminooctylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.3614 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.368676 238.2
[M+Na]+ 547.350618 236.3
[M-H]- 523.354124 241.5
[M+NH4]+ 542.395223 242.7
[M+K]+ 563.324558 231.0
[M+H-H2O]+ 507.358660 226.2
[M+HCOO]- 569.359601 257.4
[M+CH3COO]- 583.375251 254.3
[M+Na-2H]- 545.336066 233.9
[M]+ 524.36085142 245.5
[M]- 524.36194858 245.5
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.