CID 11820854

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

Structural Information

Molecular Formula
C18H24N2O3
SMILES
CCO/N=C/C1=CC(=C(C(=C1)C)OCCCC2=CC(=NO2)C)C
InChI
InChI=1S/C18H24N2O3/c1-5-22-19-12-16-9-13(2)18(14(3)10-16)21-8-6-7-17-11-15(4)20-23-17/h9-12H,5-8H2,1-4H3/b19-12+
InChIKey
JZWNKDCMUMJEAW-XDHOZWIPSA-N
Compound name
(E)-1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-ethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.17868 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.185956 176.8
[M+Na]+ 339.167898 185.1
[M-H]- 315.171404 184.5
[M+NH4]+ 334.212503 191.5
[M+K]+ 355.141838 183.1
[M+H-H2O]+ 299.175940 168.2
[M+HCOO]- 361.176881 201.7
[M+CH3COO]- 375.192531 213.3
[M+Na-2H]- 337.153346 179.0
[M]+ 316.17813142 185.4
[M]- 316.17922858 185.4
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.