CID 11820853

Benzaldehyde, 3,5-dimethyl-4-[3-(3-methyl-5-isoxazolyl)propoxy]-, o-2-propenyloxime

Structural Information

Molecular Formula
C19H24N2O3
SMILES
CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)/C=N/OCC=C
InChI
InChI=1S/C19H24N2O3/c1-5-8-23-20-13-17-10-14(2)19(15(3)11-17)22-9-6-7-18-12-16(4)21-24-18/h5,10-13H,1,6-9H2,2-4H3/b20-13+
InChIKey
JRHJGQVSVRJFFL-DEDYPNTBSA-N
Compound name
(E)-1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-prop-2-enoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.17868 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18596 180.3
[M+Na]+ 351.16790 188.3
[M-H]- 327.17140 187.8
[M+NH4]+ 346.21250 194.4
[M+K]+ 367.14184 185.5
[M+H-H2O]+ 311.17594 171.5
[M+HCOO]- 373.17688 205.0
[M+CH3COO]- 387.19253 215.5
[M+Na-2H]- 349.15335 181.9
[M]+ 328.17813 188.5
[M]- 328.17923 188.5
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.