CID 162345258

Ns00133532

Structural Information

Molecular Formula
C16H21NO4
SMILES
CC(C)NC(C(COC1=CC(=CC2=CC=CC=C21)O)O)O
InChI
InChI=1S/C16H21NO4/c1-10(2)17-16(20)14(19)9-21-15-8-12(18)7-11-5-3-4-6-13(11)15/h3-8,10,14,16-20H,9H2,1-2H3
InChIKey
KHZUSBBAGIEJAN-UHFFFAOYSA-N
Compound name
3-(3-hydroxynaphthalen-1-yl)oxy-1-(propan-2-ylamino)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.14706 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.154336 167.4
[M+Na]+ 314.136278 171.5
[M-H]- 290.139784 167.4
[M+NH4]+ 309.180883 181.3
[M+K]+ 330.110218 168.8
[M+H-H2O]+ 274.144320 160.8
[M+HCOO]- 336.145261 183.6
[M+CH3COO]- 350.160911 201.0
[M+Na-2H]- 312.121726 169.1
[M]+ 291.14651142 166.9
[M]- 291.14760858 166.9
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

No patent data available for this compound.