CID 3087849

St 578

Structural Information

Molecular Formula
C21H27NO4
SMILES
COC1=CC=C(C=C1)C(CNC2CCC3=CC(=C(C=C3C2)OC)OC)O
InChI
InChI=1S/C21H27NO4/c1-24-18-8-5-14(6-9-18)19(23)13-22-17-7-4-15-11-20(25-2)21(26-3)12-16(15)10-17/h5-6,8-9,11-12,17,19,22-23H,4,7,10,13H2,1-3H3
InChIKey
DGRBXCAEIJBNAK-UHFFFAOYSA-N
Compound name
2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-(4-methoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

357.194 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.201276 185.3
[M+Na]+ 380.183218 189.6
[M-H]- 356.186724 190.7
[M+NH4]+ 375.227823 197.9
[M+K]+ 396.157158 186.3
[M+H-H2O]+ 340.191260 176.4
[M+HCOO]- 402.192201 203.2
[M+CH3COO]- 416.207851 217.8
[M+Na-2H]- 378.168666 186.9
[M]+ 357.19345142 186.7
[M]- 357.19454858 186.7
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