CID 3040159

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

Structural Information

Molecular Formula
C24H42N2O2
SMILES
CCCN(CCC)CC(CN(CC(C)C)CC(C)C)OC(=O)C1=CC=CC=C1
InChI
InChI=1S/C24H42N2O2/c1-7-14-25(15-8-2)18-23(19-26(16-20(3)4)17-21(5)6)28-24(27)22-12-10-9-11-13-22/h9-13,20-21,23H,7-8,14-19H2,1-6H3
InChIKey
FBVNVKFKGGTXSM-UHFFFAOYSA-N
Compound name
[1-[bis(2-methylpropyl)amino]-3-(dipropylamino)propan-2-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.32462 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.33190 208.4
[M+Na]+ 413.31384 207.2
[M-H]- 389.31734 212.1
[M+NH4]+ 408.35844 219.9
[M+K]+ 429.28778 207.0
[M+H-H2O]+ 373.32188 198.9
[M+HCOO]- 435.32282 227.5
[M+CH3COO]- 449.33847 238.6
[M+Na-2H]- 411.29929 202.6
[M]+ 390.32407 214.3
[M]- 390.32517 214.3
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.