CID 11820915

1-[3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl]-n-prop-2-ynoxy-ethanimine

Structural Information

Molecular Formula
C20H24N2O3
SMILES
CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)/C(=N/OCC#C)/C
InChI
InChI=1S/C20H24N2O3/c1-6-9-24-22-17(5)18-11-14(2)20(15(3)12-18)23-10-7-8-19-13-16(4)21-25-19/h1,11-13H,7-10H2,2-5H3/b22-17+
InChIKey
YSSNLERNEAHLEP-OQKWZONESA-N
Compound name
(E)-1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-prop-2-ynoxyethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.17868 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18596 180.1
[M+Na]+ 363.16790 189.6
[M-H]- 339.17140 184.5
[M+NH4]+ 358.21250 191.7
[M+K]+ 379.14184 185.5
[M+H-H2O]+ 323.17594 165.0
[M+HCOO]- 385.17688 197.3
[M+CH3COO]- 399.19253 222.6
[M+Na-2H]- 361.15335 179.3
[M]+ 340.17813 181.4
[M]- 340.17923 181.4
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.