CID 123488

Benzenamine, n-[(4-butoxyphenyl)methylene]-4-pentyl-

Structural Information

Molecular Formula
C22H29NO
SMILES
CCCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OCCCC
InChI
InChI=1S/C22H29NO/c1-3-5-7-8-19-9-13-21(14-10-19)23-18-20-11-15-22(16-12-20)24-17-6-4-2/h9-16,18H,3-8,17H2,1-2H3
InChIKey
HRVNADYIJXVWHM-UHFFFAOYSA-N
Compound name
1-(4-butoxyphenyl)-N-(4-pentylphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

323.2249 Da
Monoisotopic Mass

6.9
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.