CID 209580

1-(isopropylamino)-3-(2,4-xylidino)-2-propanol dihydrochloride

Structural Information

Molecular Formula
C14H24N2O
SMILES
CC1=CC(=C(C=C1)NCC(CNC(C)C)O)C
InChI
InChI=1S/C14H24N2O/c1-10(2)15-8-13(17)9-16-14-6-5-11(3)7-12(14)4/h5-7,10,13,15-17H,8-9H2,1-4H3
InChIKey
PPUIITGCHQYTHL-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylanilino)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.18886 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.19614 159.0
[M+Na]+ 259.17808 168.4
[M+NH4]+ 254.22268 166.1
[M+K]+ 275.15202 162.7
[M-H]- 235.18158 161.3
[M+Na-2H]- 257.16353 163.5
[M]+ 236.18831 160.7
[M]- 236.18941 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.