CID 3040155

1-(bis(isobutylamino))-3-(dimethylamino)-2-propanol benzoate dihydrochloride

Structural Information

Molecular Formula
C20H34N2O2
SMILES
CC(C)CN(CC(C)C)CC(CN(C)C)OC(=O)C1=CC=CC=C1
InChI
InChI=1S/C20H34N2O2/c1-16(2)12-22(13-17(3)4)15-19(14-21(5)6)24-20(23)18-10-8-7-9-11-18/h7-11,16-17,19H,12-15H2,1-6H3
InChIKey
AEQURGMKJQXXMC-UHFFFAOYSA-N
Compound name
[1-[bis(2-methylpropyl)amino]-3-(dimethylamino)propan-2-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.26202 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.269296 189.8
[M+Na]+ 357.251238 190.3
[M-H]- 333.254744 194.3
[M+NH4]+ 352.295843 203.7
[M+K]+ 373.225178 191.0
[M+H-H2O]+ 317.259280 181.0
[M+HCOO]- 379.260221 210.3
[M+CH3COO]- 393.275871 227.0
[M+Na-2H]- 355.236686 186.2
[M]+ 334.26147142 194.2
[M]- 334.26256858 194.2
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.