CID 201322

M-toluidine, alpha-(4-amino-2-methoxyphenoxy)-4-(octyloxy)-

Structural Information

Molecular Formula
C22H32N2O3
SMILES
CCCCCCCCOC1=C(C=C(C=C1)N)COC2=C(C=C(C=C2)N)OC
InChI
InChI=1S/C22H32N2O3/c1-3-4-5-6-7-8-13-26-20-11-9-18(23)14-17(20)16-27-21-12-10-19(24)15-22(21)25-2/h9-12,14-15H,3-8,13,16,23-24H2,1-2H3
InChIKey
UBHBHXBLULCGHT-UHFFFAOYSA-N
Compound name
3-[(4-amino-2-methoxyphenoxy)methyl]-4-octoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.2413 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.248576 194.0
[M+Na]+ 395.230518 198.6
[M-H]- 371.234024 199.0
[M+NH4]+ 390.275123 205.4
[M+K]+ 411.204458 194.2
[M+H-H2O]+ 355.238560 184.3
[M+HCOO]- 417.239501 216.9
[M+CH3COO]- 431.255151 225.7
[M+Na-2H]- 393.215966 193.6
[M]+ 372.24075142 198.2
[M]- 372.24184858 198.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.