CID 6370644

1,10-decanedione, 1,10-bis(4-(hexyloxy)phenyl)-, dioxime

Structural Information

Molecular Formula
C34H52N2O4
SMILES
CCCCCCOC1=CC=C(C=C1)/C(=N\O)/CCCCCCCC/C(=N/O)/C2=CC=C(C=C2)OCCCCCC
InChI
InChI=1S/C34H52N2O4/c1-3-5-7-15-27-39-31-23-19-29(20-24-31)33(35-37)17-13-11-9-10-12-14-18-34(36-38)30-21-25-32(26-22-30)40-28-16-8-6-4-2/h19-26,37-38H,3-18,27-28H2,1-2H3/b35-33-,36-34-
InChIKey
BWAPCYTWDFJIQW-SGRXOXICSA-N
Compound name
(NZ)-N-[(10Z)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

552.3927 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.39998 246.6
[M+Na]+ 575.38192 243.8
[M-H]- 551.38542 249.4
[M+NH4]+ 570.42652 249.8
[M+K]+ 591.35586 238.1
[M+H-H2O]+ 535.38996 234.2
[M+HCOO]- 597.39090 265.0
[M+CH3COO]- 611.40655 260.0
[M+Na-2H]- 573.36737 241.3
[M]+ 552.39215 254.5
[M]- 552.39325 254.5
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.