CID 3040157

1-diethylamino-3-(diisobutylamino)-2-propanol benzoate dihydrochloride

Structural Information

Molecular Formula
C22H38N2O2
SMILES
CCN(CC)CC(CN(CC(C)C)CC(C)C)OC(=O)C1=CC=CC=C1
InChI
InChI=1S/C22H38N2O2/c1-7-23(8-2)16-21(17-24(14-18(3)4)15-19(5)6)26-22(25)20-12-10-9-11-13-20/h9-13,18-19,21H,7-8,14-17H2,1-6H3
InChIKey
WOPPKJIABIMAEH-UHFFFAOYSA-N
Compound name
[1-[bis(2-methylpropyl)amino]-3-(diethylamino)propan-2-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.29333 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.30061 199.1
[M+Na]+ 385.28255 198.8
[M-H]- 361.28605 203.3
[M+NH4]+ 380.32715 211.8
[M+K]+ 401.25649 199.0
[M+H-H2O]+ 345.29059 190.0
[M+HCOO]- 407.29153 218.9
[M+CH3COO]- 421.30718 232.8
[M+Na-2H]- 383.26800 194.4
[M]+ 362.29278 204.3
[M]- 362.29388 204.3
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.