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 177.9
[M+Na]+ 337.18865 184.1
[M-H]- 313.19215 183.5
[M+NH4]+ 332.23325 191.8
[M+K]+ 353.16259 179.6
[M+H-H2O]+ 297.19669 169.1
[M+HCOO]- 359.19763 201.7
[M+CH3COO]- 373.21328 214.6
[M+Na-2H]- 335.17410 178.9
[M]+ 314.19888 179.7
[M]- 314.19998 179.7
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.