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]+ 373.24858 194.0
[M+Na]+ 395.23052 198.6
[M-H]- 371.23402 199.0
[M+NH4]+ 390.27512 205.4
[M+K]+ 411.20446 194.2
[M+H-H2O]+ 355.23856 184.3
[M+HCOO]- 417.23950 216.9
[M+CH3COO]- 431.25515 225.7
[M+Na-2H]- 393.21597 193.6
[M]+ 372.24075 198.2
[M]- 372.24185 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.