CID 316507

3,3'-(pentamethylenedioxy)dianiline

Structural Information

Molecular Formula
C17H22N2O2
SMILES
C1=CC(=CC(=C1)OCCCCCOC2=CC=CC(=C2)N)N
InChI
InChI=1S/C17H22N2O2/c18-14-6-4-8-16(12-14)20-10-2-1-3-11-21-17-9-5-7-15(19)13-17/h4-9,12-13H,1-3,10-11,18-19H2
InChIKey
XKBRJCSVQIUYGX-UHFFFAOYSA-N
Compound name
3-[5-(3-aminophenoxy)pentoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

595
Patents

286.16812 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.175396 167.7
[M+Na]+ 309.157338 173.0
[M-H]- 285.160844 173.0
[M+NH4]+ 304.201943 182.2
[M+K]+ 325.131278 168.7
[M+H-H2O]+ 269.165380 159.0
[M+HCOO]- 331.166321 192.3
[M+CH3COO]- 345.181971 206.1
[M+Na-2H]- 307.142786 171.5
[M]+ 286.16757142 168.0
[M]- 286.16866858 168.0
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

patents stripe