CID 11820925

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

Structural Information

Molecular Formula
C20H26N2O3
SMILES
CCO/N=C/C1=CC(=C(C(=C1)C)OCCCC2=CC(=NO2)C3CC3)C
InChI
InChI=1S/C20H26N2O3/c1-4-24-21-13-16-10-14(2)20(15(3)11-16)23-9-5-6-18-12-19(22-25-18)17-7-8-17/h10-13,17H,4-9H2,1-3H3/b21-13+
InChIKey
JHQPPVTXCOACHM-FYJGNVAPSA-N
Compound name
(E)-1-[4-[3-(3-cyclopropyl-1,2-oxazol-5-yl)propoxy]-3,5-dimethylphenyl]-N-ethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.19434 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20162 183.1
[M+Na]+ 365.18356 192.3
[M-H]- 341.18706 194.1
[M+NH4]+ 360.22816 192.0
[M+K]+ 381.15750 188.5
[M+H-H2O]+ 325.19160 174.2
[M+HCOO]- 387.19254 207.4
[M+CH3COO]- 401.20819 219.4
[M+Na-2H]- 363.16901 184.6
[M]+ 342.19379 193.2
[M]- 342.19489 193.2
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.