CID 24840928

Brn 5661541

Structural Information

Molecular Formula
C29H42N2O4
SMILES
CCCCCCOC1=CC=C(C=C1)/C(=N\O)/CCC/C(=N/O)/C2=CC=C(C=C2)OCCCCCC
InChI
InChI=1S/C29H42N2O4/c1-3-5-7-9-22-34-26-18-14-24(15-19-26)28(30-32)12-11-13-29(31-33)25-16-20-27(21-17-25)35-23-10-8-6-4-2/h14-21,32-33H,3-13,22-23H2,1-2H3/b30-28-,31-29-
InChIKey
XBKWCUGGYSPRAN-BRMDCIMDSA-N
Compound name
(NZ)-N-[(5Z)-1,5-bis(4-hexoxyphenyl)-5-hydroxyiminopentylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.31445 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.32173 225.4
[M+Na]+ 505.30367 224.9
[M-H]- 481.30717 229.4
[M+NH4]+ 500.34827 231.7
[M+K]+ 521.27761 220.2
[M+H-H2O]+ 465.31171 214.0
[M+HCOO]- 527.31265 245.7
[M+CH3COO]- 541.32830 245.7
[M+Na-2H]- 503.28912 222.6
[M]+ 482.31390 231.7
[M]- 482.31500 231.7
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.