CID 14645098

1-(4-aminophenoxy)-2-[n-(4-aminophenethyl)-n-methylamino]ethane

Structural Information

Molecular Formula
C17H23N3O
SMILES
CN(CCC1=CC=C(C=C1)N)CCOC2=CC=C(C=C2)N
InChI
InChI=1S/C17H23N3O/c1-20(11-10-14-2-4-15(18)5-3-14)12-13-21-17-8-6-16(19)7-9-17/h2-9H,10-13,18-19H2,1H3
InChIKey
QZYRUZJJDBUKII-UHFFFAOYSA-N
Compound name
4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

285.1841 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19138 168.7
[M+Na]+ 308.17332 173.4
[M-H]- 284.17682 175.4
[M+NH4]+ 303.21792 183.6
[M+K]+ 324.14726 170.0
[M+H-H2O]+ 268.18136 159.7
[M+HCOO]- 330.18230 194.6
[M+CH3COO]- 344.19795 212.5
[M+Na-2H]- 306.15877 172.0
[M]+ 285.18355 168.2
[M]- 285.18465 168.2
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

patents stripe