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

97
Patents

286.16812 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 167.7
[M+Na]+ 309.15734 173.0
[M-H]- 285.16084 173.0
[M+NH4]+ 304.20194 182.2
[M+K]+ 325.13128 168.7
[M+H-H2O]+ 269.16538 159.0
[M+HCOO]- 331.16632 192.3
[M+CH3COO]- 345.18197 206.1
[M+Na-2H]- 307.14279 171.5
[M]+ 286.16757 168.0
[M]- 286.16867 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