CID 11820852

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

Structural Information

Molecular Formula
C17H22N2O3
SMILES
CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)/C=N/OC
InChI
InChI=1S/C17H22N2O3/c1-12-8-15(11-18-20-4)9-13(2)17(12)21-7-5-6-16-10-14(3)19-22-16/h8-11H,5-7H2,1-4H3/b18-11+
InChIKey
KJTUWVBTUPKSOA-WOJGMQOQSA-N
Compound name
(E)-1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-methoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.16306 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17034 172.1
[M+Na]+ 325.15228 180.9
[M-H]- 301.15578 180.1
[M+NH4]+ 320.19688 187.5
[M+K]+ 341.12622 179.1
[M+H-H2O]+ 285.16032 163.7
[M+HCOO]- 347.16126 197.4
[M+CH3COO]- 361.17691 210.3
[M+Na-2H]- 323.13773 174.9
[M]+ 302.16251 180.4
[M]- 302.16361 180.4
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.