CID 11820918

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

Structural Information

Molecular Formula
C20H28N2O3
SMILES
CCO/N=C/C1=CC(=C(C(=C1)C)OCCCCCC2=CC(=NO2)C)C
InChI
InChI=1S/C20H28N2O3/c1-5-24-21-14-18-11-15(2)20(16(3)12-18)23-10-8-6-7-9-19-13-17(4)22-25-19/h11-14H,5-10H2,1-4H3/b21-14+
InChIKey
HZBVWSUNQBRIAI-KGENOOAVSA-N
Compound name
(E)-1-[3,5-dimethyl-4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]-N-ethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.21 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.21728 186.1
[M+Na]+ 367.19922 193.4
[M-H]- 343.20272 193.4
[M+NH4]+ 362.24382 199.6
[M+K]+ 383.17316 191.0
[M+H-H2O]+ 327.20726 177.0
[M+HCOO]- 389.20820 210.3
[M+CH3COO]- 403.22385 219.2
[M+Na-2H]- 365.18467 187.2
[M]+ 344.20945 195.4
[M]- 344.21055 195.4
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.