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 229.7
[M+Na]+ 519.31932 228.7
[M-H]- 495.32282 233.4
[M+NH4]+ 514.36392 235.4
[M+K]+ 535.29326 223.8
[M+H-H2O]+ 479.32736 218.1
[M+HCOO]- 541.32830 249.6
[M+CH3COO]- 555.34395 248.6
[M+Na-2H]- 517.30477 226.4
[M]+ 496.32955 236.3
[M]- 496.33065 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.