CID 118762

Benzenamine, 4-pentyl-n-((4-propoxyphenyl)methylene)-

Structural Information

Molecular Formula
C21H27NO
SMILES
CCCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OCCC
InChI
InChI=1S/C21H27NO/c1-3-5-6-7-18-8-12-20(13-9-18)22-17-19-10-14-21(15-11-19)23-16-4-2/h8-15,17H,3-7,16H2,1-2H3
InChIKey
YKEQLFOJEDWIIA-UHFFFAOYSA-N
Compound name
N-(4-pentylphenyl)-1-(4-propoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

309.20926 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 177.8
[M+Na]+ 332.19848 183.1
[M-H]- 308.20198 184.9
[M+NH4]+ 327.24308 193.0
[M+K]+ 348.17242 178.3
[M+H-H2O]+ 292.20652 168.6
[M+HCOO]- 354.20746 202.7
[M+CH3COO]- 368.22311 213.3
[M+Na-2H]- 330.18393 181.4
[M]+ 309.20871 181.8
[M]- 309.20981 181.8
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

patents stripe