CID 200616

Brn 2398359

Structural Information

Molecular Formula
C23H27NO4
SMILES
COC1=C(C=C(C=C1)CCNCC(COC2=CC=CC3=CC=CC=C32)O)OC
InChI
InChI=1S/C23H27NO4/c1-26-22-11-10-17(14-23(22)27-2)12-13-24-15-19(25)16-28-21-9-5-7-18-6-3-4-8-20(18)21/h3-11,14,19,24-25H,12-13,15-16H2,1-2H3
InChIKey
NZVCJSBDNMGFLS-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.194 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.20128 192.4
[M+Na]+ 404.18322 196.8
[M-H]- 380.18672 197.7
[M+NH4]+ 399.22782 203.8
[M+K]+ 420.15716 192.7
[M+H-H2O]+ 364.19126 182.7
[M+HCOO]- 426.19220 212.5
[M+CH3COO]- 440.20785 221.6
[M+Na-2H]- 402.16867 195.6
[M]+ 381.19345 196.8
[M]- 381.19455 196.8
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

No patent data available for this compound.