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]+ 327.24308 182.8
[M+Na]+ 349.22502 184.5
[M-H]- 325.22852 189.5
[M+NH4]+ 344.26962 196.2
[M+K]+ 365.19896 182.5
[M+H-H2O]+ 309.23306 173.8
[M+HCOO]- 371.23400 204.0
[M+CH3COO]- 385.24965 220.3
[M+Na-2H]- 347.21047 185.5
[M]+ 326.23525 183.9
[M]- 326.23635 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.