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

11
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

literature stripe

Patent stripe

patents stripe