CID 3066380

O-toluidine, 4,4'-pentamethylenedioxydi-, dihydrochloride

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CC1=C(C=CC(=C1)OCCCCCOC2=CC(=C(C=C2)N)C)N
InChI
InChI=1S/C19H26N2O2/c1-14-12-16(6-8-18(14)20)22-10-4-3-5-11-23-17-7-9-19(21)15(2)13-17/h6-9,12-13H,3-5,10-11,20-21H2,1-2H3
InChIKey
DWVRKAGNKJRPTA-UHFFFAOYSA-N
Compound name
4-[5-(4-amino-3-methylphenoxy)pentoxy]-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.19943 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 178.5
[M+Na]+ 337.18865 190.8
[M+NH4]+ 332.23325 185.8
[M+K]+ 353.16259 182.9
[M-H]- 313.19215 183.8
[M+Na-2H]- 335.17410 185.4
[M]+ 314.19888 181.7
[M]- 314.19998 181.7
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.