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

13
Patents

258.17322 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.180496 161.3
[M+Na]+ 281.162438 165.2
[M-H]- 257.165944 163.6
[M+NH4]+ 276.207043 177.7
[M+K]+ 297.136378 161.5
[M+H-H2O]+ 241.170480 154.1
[M+HCOO]- 303.171421 182.1
[M+CH3COO]- 317.187071 202.1
[M+Na-2H]- 279.147886 166.1
[M]+ 258.17267142 159.7
[M]- 258.17376858 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