CID 11820913

Benzaldehyde, 4-[3-(3-methyl-5-isoxazolyl)propoxy]-, o-propyloxime

Structural Information

Molecular Formula
C17H22N2O3
SMILES
CCCO/N=C/C1=CC=C(C=C1)OCCCC2=CC(=NO2)C
InChI
InChI=1S/C17H22N2O3/c1-3-10-21-18-13-15-6-8-16(9-7-15)20-11-4-5-17-12-14(2)19-22-17/h6-9,12-13H,3-5,10-11H2,1-2H3/b18-13+
InChIKey
WGHJYVMSNUYWET-QGOAFFKASA-N
Compound name
(E)-1-[4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-propoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.16306 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17034 172.0
[M+Na]+ 325.15228 178.8
[M-H]- 301.15578 179.0
[M+NH4]+ 320.19688 186.6
[M+K]+ 341.12622 177.0
[M+H-H2O]+ 285.16032 162.9
[M+HCOO]- 347.16126 197.3
[M+CH3COO]- 361.17691 207.9
[M+Na-2H]- 323.13773 176.1
[M]+ 302.16251 179.4
[M]- 302.16361 179.4
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.