CID 11820914

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

Structural Information

Molecular Formula
C20H28N2O3
SMILES
CCCO/N=C(\C)/C1=CC(=C(C(=C1)C)OCCCC2=CC(=NO2)C)C
InChI
InChI=1S/C20H28N2O3/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/h11-13H,6-10H2,1-5H3/b22-17+
InChIKey
ZEGWAPHLVKJRMS-OQKWZONESA-N
Compound name
(E)-1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-propoxyethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.21 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.21728 186.7
[M+Na]+ 367.19922 193.7
[M-H]- 343.20272 194.1
[M+NH4]+ 362.24382 200.1
[M+K]+ 383.17316 191.8
[M+H-H2O]+ 327.20726 177.8
[M+HCOO]- 389.20820 209.9
[M+CH3COO]- 403.22385 220.1
[M+Na-2H]- 365.18467 186.6
[M]+ 344.20945 195.3
[M]- 344.21055 195.3
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.