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]+ 358.20128 185.3
[M+Na]+ 380.18322 189.6
[M-H]- 356.18672 190.7
[M+NH4]+ 375.22782 197.9
[M+K]+ 396.15716 186.3
[M+H-H2O]+ 340.19126 176.4
[M+HCOO]- 402.19220 203.2
[M+CH3COO]- 416.20785 217.8
[M+Na-2H]- 378.16867 186.9
[M]+ 357.19345 186.7
[M]- 357.19455 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