CID 58891

Aniline, p-(5-(p-tolyloxy)pentyloxy)-, hydrochloride

Structural Information

Molecular Formula
C18H23NO2
SMILES
CC1=CC=C(C=C1)OCCCCCOC2=CC=C(C=C2)N
InChI
InChI=1S/C18H23NO2/c1-15-5-9-17(10-6-15)20-13-3-2-4-14-21-18-11-7-16(19)8-12-18/h5-12H,2-4,13-14,19H2,1H3
InChIKey
CDIOGLHHWUNZDY-UHFFFAOYSA-N
Compound name
4-[5-(4-methylphenoxy)pentoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

285.17288 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 169.8
[M+Na]+ 308.16210 183.2
[M+NH4]+ 303.20670 178.0
[M+K]+ 324.13604 174.4
[M-H]- 284.16560 175.0
[M+Na-2H]- 306.14755 178.3
[M]+ 285.17233 173.2
[M]- 285.17343 173.2
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