CID 12600620

1,2-bis(2-benzylaminoethoxy)ethane

Structural Information

Molecular Formula
C20H28N2O2
SMILES
C1=CC=C(C=C1)CNCCOCCOCCNCC2=CC=CC=C2
InChI
InChI=1S/C20H28N2O2/c1-3-7-19(8-4-1)17-21-11-13-23-15-16-24-14-12-22-18-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2
InChIKey
FQEGBHFZAGTXDY-UHFFFAOYSA-N
Compound name
N-benzyl-2-[2-[2-(benzylamino)ethoxy]ethoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

62
Patents

328.2151 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.22238 178.8
[M+Na]+ 351.20432 180.8
[M-H]- 327.20782 183.6
[M+NH4]+ 346.24892 191.4
[M+K]+ 367.17826 176.4
[M+H-H2O]+ 311.21236 168.9
[M+HCOO]- 373.21330 203.6
[M+CH3COO]- 387.22895 213.9
[M+Na-2H]- 349.18977 184.6
[M]+ 328.21455 181.3
[M]- 328.21565 181.3
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.