CID 39248

42739-92-4

Structural Information

Molecular Formula
C26H41N3O3
SMILES
CC(CN(C)C)C(C1=CC=C(C=C1)OCCN(C)C)(C2=CC=C(C=C2)OCCN(C)C)O
InChI
InChI=1S/C26H41N3O3/c1-21(20-29(6)7)26(30,22-8-12-24(13-9-22)31-18-16-27(2)3)23-10-14-25(15-11-23)32-19-17-28(4)5/h8-15,21,30H,16-20H2,1-7H3
InChIKey
GHQIMMJJUCMCDG-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1,1-bis[4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.3148 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.32208 215.1
[M+Na]+ 466.30402 215.2
[M-H]- 442.30752 222.8
[M+NH4]+ 461.34862 224.2
[M+K]+ 482.27796 215.3
[M+H-H2O]+ 426.31206 204.5
[M+HCOO]- 488.31300 236.2
[M+CH3COO]- 502.32865 249.8
[M+Na-2H]- 464.28947 213.8
[M]+ 443.31425 221.9
[M]- 443.31535 221.9
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.