CID 3060494

1,1-diphenyl-2-methyl-3-(n-(2-(dimethylamino)ethyl)-n-methylamino)propanol dihydrochloride

Structural Information

Molecular Formula
C21H30N2O
SMILES
CC(CN(C)CCN(C)C)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C21H30N2O/c1-18(17-23(4)16-15-22(2)3)21(24,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,24H,15-17H2,1-4H3
InChIKey
SYMABBQVLPKQJK-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)ethyl-methylamino]-2-methyl-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.2358 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.243076 182.8
[M+Na]+ 349.225018 184.5
[M-H]- 325.228524 189.5
[M+NH4]+ 344.269623 196.2
[M+K]+ 365.198958 182.5
[M+H-H2O]+ 309.233060 173.8
[M+HCOO]- 371.234001 204.0
[M+CH3COO]- 385.249651 220.3
[M+Na-2H]- 347.210466 185.5
[M]+ 326.23525142 183.9
[M]- 326.23634858 183.9
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.