CID 60189

107413-93-4

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CNC1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)NC
InChI
InChI=1S/C17H22N2O2/c1-18-14-4-8-16(9-5-14)20-12-3-13-21-17-10-6-15(19-2)7-11-17/h4-11,18-19H,3,12-13H2,1-2H3
InChIKey
GCBBRDJTKUIXEX-UHFFFAOYSA-N
Compound name
N-methyl-4-[3-[4-(methylamino)phenoxy]propoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.16812 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 166.9
[M+Na]+ 309.15734 172.2
[M-H]- 285.16084 173.2
[M+NH4]+ 304.20194 181.9
[M+K]+ 325.13128 168.6
[M+H-H2O]+ 269.16538 158.1
[M+HCOO]- 331.16632 192.8
[M+CH3COO]- 345.18197 207.3
[M+Na-2H]- 307.14279 172.8
[M]+ 286.16757 169.2
[M]- 286.16867 169.2
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

No patent data available for this compound.