CID 298713

Nsc171025

Structural Information

Molecular Formula
C22H29NO
SMILES
CCCCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C
InChI
InChI=1S/C22H29NO/c1-3-4-5-6-7-8-17-24-22-15-11-20(12-16-22)18-23-21-13-9-19(2)10-14-21/h9-16,18H,3-8,17H2,1-2H3
InChIKey
MGCXMLKZHSEMFY-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)-1-(4-octoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

323.2249 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23218 182.4
[M+Na]+ 346.21412 187.2
[M-H]- 322.21762 189.2
[M+NH4]+ 341.25872 197.0
[M+K]+ 362.18806 182.2
[M+H-H2O]+ 306.22216 173.0
[M+HCOO]- 368.22310 206.9
[M+CH3COO]- 382.23875 216.3
[M+Na-2H]- 344.19957 185.4
[M]+ 323.22435 186.7
[M]- 323.22545 186.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe