CID 6514349

Brn 5667692

Structural Information

Molecular Formula
C33H50N2O4
SMILES
CCCCCCOC1=CC=C(C=C1)/C(=N\O)/CCCCCCC/C(=N/O)/C2=CC=C(C=C2)OCCCCCC
InChI
InChI=1S/C33H50N2O4/c1-3-5-7-14-26-38-30-22-18-28(19-23-30)32(34-36)16-12-10-9-11-13-17-33(35-37)29-20-24-31(25-21-29)39-27-15-8-6-4-2/h18-25,36-37H,3-17,26-27H2,1-2H3/b34-32-,35-33-
InChIKey
BEGTXHMMNACHQT-ZMYSONEWSA-N
Compound name
(NZ)-N-[(9Z)-1,9-bis(4-hexoxyphenyl)-9-hydroxyiminononylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.3771 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.38438 242.4
[M+Na]+ 561.36632 240.0
[M-H]- 537.36982 245.4
[M+NH4]+ 556.41092 246.3
[M+K]+ 577.34026 234.5
[M+H-H2O]+ 521.37436 230.2
[M+HCOO]- 583.37530 261.2
[M+CH3COO]- 597.39095 257.2
[M+Na-2H]- 559.35177 237.6
[M]+ 538.37655 250.0
[M]- 538.37765 250.0
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.