CID 209585

1-(isopropylamino)-3-(3,5-xylidino)-2-propanol dihydrochloride

Structural Information

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

No literature data available for this compound.

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No patent data available for this compound.