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]+ 310.216536 177.8
[M+Na]+ 332.198478 183.1
[M-H]- 308.201984 184.9
[M+NH4]+ 327.243083 193.0
[M+K]+ 348.172418 178.3
[M+H-H2O]+ 292.206520 168.6
[M+HCOO]- 354.207461 202.7
[M+CH3COO]- 368.223111 213.3
[M+Na-2H]- 330.183926 181.4
[M]+ 309.20871142 181.8
[M]- 309.20980858 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