CID 67425

Gallamonum

Structural Information

Molecular Formula
C24H45N3O3
SMILES
CCN(CC)CCOC1=C(C(=CC=C1)OCCN(CC)CC)OCCN(CC)CC
InChI
InChI=1S/C24H45N3O3/c1-7-25(8-2)16-19-28-22-14-13-15-23(29-20-17-26(9-3)10-4)24(22)30-21-18-27(11-5)12-6/h13-15H,7-12,16-21H2,1-6H3
InChIKey
ICLWTJIMXVISSR-UHFFFAOYSA-N
Compound name
2-[2,3-bis[2-(diethylamino)ethoxy]phenoxy]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1549
References

3954
Patents

423.3461 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.35338 214.4
[M+Na]+ 446.33532 214.7
[M-H]- 422.33882 219.8
[M+NH4]+ 441.37992 225.6
[M+K]+ 462.30926 215.1
[M+H-H2O]+ 406.34336 203.7
[M+HCOO]- 468.34430 238.9
[M+CH3COO]- 482.35995 249.4
[M+Na-2H]- 444.32077 211.8
[M]+ 423.34555 226.2
[M]- 423.34665 226.2
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