CID 23737906

450363-95-8

Structural Information

Molecular Formula
C20H21NO3
SMILES
COC1=CC=CC=C1NCC(COC2=CC=CC3=CC=CC=C32)O
InChI
InChI=1S/C20H21NO3/c1-23-20-11-5-4-10-18(20)21-13-16(22)14-24-19-12-6-8-15-7-2-3-9-17(15)19/h2-12,16,21-22H,13-14H2,1H3
InChIKey
AVHHNKJMHJEWLN-UHFFFAOYSA-N
Compound name
1-(2-methoxyanilino)-3-naphthalen-1-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.15213 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15941 175.5
[M+Na]+ 346.14135 180.6
[M-H]- 322.14485 181.1
[M+NH4]+ 341.18595 189.1
[M+K]+ 362.11529 176.2
[M+H-H2O]+ 306.14939 166.6
[M+HCOO]- 368.15033 196.6
[M+CH3COO]- 382.16598 209.4
[M+Na-2H]- 344.12680 180.9
[M]+ 323.15158 177.1
[M]- 323.15268 177.1
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.