CID 86853

D,l-1-isopropylamino-3-(1-naphthylamino)-2-propanol dihydrochloride

Structural Information

Molecular Formula
C16H22N2O
SMILES
CC(C)NCC(CNC1=CC=CC2=CC=CC=C21)O
InChI
InChI=1S/C16H22N2O/c1-12(2)17-10-14(19)11-18-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-19H,10-11H2,1-2H3
InChIKey
LEPJVGQNQBQHIQ-UHFFFAOYSA-N
Compound name
1-(naphthalen-1-ylamino)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

258.17322 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 161.3
[M+Na]+ 281.16244 165.2
[M-H]- 257.16594 163.6
[M+NH4]+ 276.20704 177.7
[M+K]+ 297.13638 161.5
[M+H-H2O]+ 241.17048 154.1
[M+HCOO]- 303.17142 182.1
[M+CH3COO]- 317.18707 202.1
[M+Na-2H]- 279.14789 166.1
[M]+ 258.17267 159.7
[M]- 258.17377 159.7
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.

Patent stripe

patents stripe