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]+ 382.201276 192.4
[M+Na]+ 404.183218 196.8
[M-H]- 380.186724 197.7
[M+NH4]+ 399.227823 203.8
[M+K]+ 420.157158 192.7
[M+H-H2O]+ 364.191260 182.7
[M+HCOO]- 426.192201 212.5
[M+CH3COO]- 440.207851 221.6
[M+Na-2H]- 402.168666 195.6
[M]+ 381.19345142 196.8
[M]- 381.19454858 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.