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]+ 317.18596 176.8
[M+Na]+ 339.16790 185.1
[M-H]- 315.17140 184.5
[M+NH4]+ 334.21250 191.5
[M+K]+ 355.14184 183.1
[M+H-H2O]+ 299.17594 168.2
[M+HCOO]- 361.17688 201.7
[M+CH3COO]- 375.19253 213.3
[M+Na-2H]- 337.15335 179.0
[M]+ 316.17813 185.4
[M]- 316.17923 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.