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

60
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

literature stripe

Patent stripe

patents stripe