CID 11820855

Benzaldehyde, 3,5-dimethyl-4-[3-(3-methyl-5-isoxazolyl)propoxy]-, o-(phenylmethyl)oxime

Structural Information

Molecular Formula
C23H26N2O3
SMILES
CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)/C=N/OCC3=CC=CC=C3
InChI
InChI=1S/C23H26N2O3/c1-17-12-21(15-24-27-16-20-8-5-4-6-9-20)13-18(2)23(17)26-11-7-10-22-14-19(3)25-28-22/h4-6,8-9,12-15H,7,10-11,16H2,1-3H3/b24-15+
InChIKey
ILUYNTKIVSHQQE-BUVRLJJBSA-N
Compound name
(E)-1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-phenylmethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.19434 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.20162 194.3
[M+Na]+ 401.18356 201.5
[M-H]- 377.18706 204.7
[M+NH4]+ 396.22816 205.7
[M+K]+ 417.15750 197.9
[M+H-H2O]+ 361.19160 183.8
[M+HCOO]- 423.19254 218.7
[M+CH3COO]- 437.20819 223.9
[M+Na-2H]- 399.16901 195.8
[M]+ 378.19379 201.7
[M]- 378.19489 201.7
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.