CID 11820916

1-[3,5-dimethyl-4-[6-(3-methylisoxazol-5-yl)hexoxy]phenyl]-n-ethoxy-methanimine

Structural Information

Molecular Formula
C21H30N2O3
SMILES
CCO/N=C/C1=CC(=C(C(=C1)C)OCCCCCCC2=CC(=NO2)C)C
InChI
InChI=1S/C21H30N2O3/c1-5-25-22-15-19-12-16(2)21(17(3)13-19)24-11-9-7-6-8-10-20-14-18(4)23-26-20/h12-15H,5-11H2,1-4H3/b22-15+
InChIKey
IDMLDEMKNABUJF-PXLXIMEGSA-N
Compound name
(E)-1-[3,5-dimethyl-4-[6-(3-methyl-1,2-oxazol-5-yl)hexoxy]phenyl]-N-ethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.22565 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.23293 190.7
[M+Na]+ 381.21487 197.6
[M-H]- 357.21837 197.8
[M+NH4]+ 376.25947 203.7
[M+K]+ 397.18881 194.9
[M+H-H2O]+ 341.22291 181.4
[M+HCOO]- 403.22385 214.6
[M+CH3COO]- 417.23950 222.2
[M+Na-2H]- 379.20032 191.3
[M]+ 358.22510 200.3
[M]- 358.22620 200.3
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.