CID 6518581

Brn 5664387

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]+ 525.36868 238.2
[M+Na]+ 547.35062 236.3
[M-H]- 523.35412 241.5
[M+NH4]+ 542.39522 242.7
[M+K]+ 563.32456 231.0
[M+H-H2O]+ 507.35866 226.2
[M+HCOO]- 569.35960 257.4
[M+CH3COO]- 583.37525 254.3
[M+Na-2H]- 545.33607 233.9
[M]+ 524.36085 245.5
[M]- 524.36195 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.