CID 11820919

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

Structural Information

Molecular Formula
C19H26N2O3
SMILES
CCO/N=C/C1=CC(=C(C(=C1)C)OCCCCC2=CC(=NO2)C)C
InChI
InChI=1S/C19H26N2O3/c1-5-23-20-13-17-10-14(2)19(15(3)11-17)22-9-7-6-8-18-12-16(4)21-24-18/h10-13H,5-9H2,1-4H3/b20-13+
InChIKey
CNRPTNUKEDXUSJ-DEDYPNTBSA-N
Compound name
(E)-1-[3,5-dimethyl-4-[4-(3-methyl-1,2-oxazol-5-yl)butoxy]phenyl]-N-ethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.19434 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.20162 181.5
[M+Na]+ 353.18356 189.3
[M-H]- 329.18706 189.0
[M+NH4]+ 348.22816 195.6
[M+K]+ 369.15750 187.0
[M+H-H2O]+ 313.19160 172.6
[M+HCOO]- 375.19254 206.0
[M+CH3COO]- 389.20819 216.3
[M+Na-2H]- 351.16901 183.1
[M]+ 330.19379 190.4
[M]- 330.19489 190.4
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.