CID 6372062

Brn 5662210

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]+ 497.33738 231.0
[M+Na]+ 519.31932 239.1
[M+NH4]+ 514.36392 234.6
[M+K]+ 535.29326 230.4
[M-H]- 495.32282 234.0
[M+Na-2H]- 517.30477 234.5
[M]+ 496.32955 232.6
[M]- 496.33065 232.6
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.