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

354
Patents

236.18886 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.196136 159.3
[M+Na]+ 259.178078 163.7
[M-H]- 235.181584 161.2
[M+NH4]+ 254.222683 176.1
[M+K]+ 275.152018 161.2
[M+H-H2O]+ 219.186120 152.6
[M+HCOO]- 281.187061 180.8
[M+CH3COO]- 295.202711 199.8
[M+Na-2H]- 257.163526 160.8
[M]+ 236.18831142 158.5
[M]- 236.18940858 158.5
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

patents stripe