CID 4599884

2,2'-(pentamethylenedioxy)dianiline

Structural Information

Molecular Formula
C17H22N2O2
SMILES
C1=CC=C(C(=C1)N)OCCCCCOC2=CC=CC=C2N
InChI
InChI=1S/C17H22N2O2/c18-14-8-2-4-10-16(14)20-12-6-1-7-13-21-17-11-5-3-9-15(17)19/h2-5,8-11H,1,6-7,12-13,18-19H2
InChIKey
HSXOPVQWOCZEEG-UHFFFAOYSA-N
Compound name
2-[5-(2-aminophenoxy)pentoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
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