CID 11820917

1-[3,5-dimethyl-4-[7-(3-methylisoxazol-5-yl)heptoxy]phenyl]-n-ethoxy-methanimine

Structural Information

Molecular Formula
C22H32N2O3
SMILES
CCO/N=C/C1=CC(=C(C(=C1)C)OCCCCCCCC2=CC(=NO2)C)C
InChI
InChI=1S/C22H32N2O3/c1-5-26-23-16-20-13-17(2)22(18(3)14-20)25-12-10-8-6-7-9-11-21-15-19(4)24-27-21/h13-16H,5-12H2,1-4H3/b23-16+
InChIKey
LXTSHTOTCPNFBI-XQNSMLJCSA-N
Compound name
(E)-1-[3,5-dimethyl-4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]phenyl]-N-ethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.2413 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.24858 195.3
[M+Na]+ 395.23052 201.7
[M-H]- 371.23402 202.2
[M+NH4]+ 390.27512 207.7
[M+K]+ 411.20446 198.8
[M+H-H2O]+ 355.23856 185.8
[M+HCOO]- 417.23950 218.8
[M+CH3COO]- 431.25515 225.1
[M+Na-2H]- 393.21597 195.3
[M]+ 372.24075 205.3
[M]- 372.24185 205.3
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.