CID 3040182

1-(dibutylamino)-3-(diisobutylamino)-2-propanol dihydrochloride

Structural Information

Molecular Formula
C19H42N2O
SMILES
CCCCN(CCCC)CC(CN(CC(C)C)CC(C)C)O
InChI
InChI=1S/C19H42N2O/c1-7-9-11-20(12-10-8-2)15-19(22)16-21(13-17(3)4)14-18(5)6/h17-19,22H,7-16H2,1-6H3
InChIKey
PIDQKJMOHAQHSV-UHFFFAOYSA-N
Compound name
1-[bis(2-methylpropyl)amino]-3-(dibutylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.3297 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.33698 192.3
[M+Na]+ 337.31892 191.7
[M-H]- 313.32242 191.8
[M+NH4]+ 332.36352 206.9
[M+K]+ 353.29286 191.9
[M+H-H2O]+ 297.32696 184.6
[M+HCOO]- 359.32790 210.5
[M+CH3COO]- 373.34355 224.8
[M+Na-2H]- 335.30437 186.9
[M]+ 314.32915 197.0
[M]- 314.33025 197.0
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.