CID 3087859

St 558

Structural Information

Molecular Formula
C20H25NO4
SMILES
COC1=C(C=C2CC(CCC2=C1)NCC(C3=CC=C(C=C3)O)O)OC
InChI
InChI=1S/C20H25NO4/c1-24-19-10-14-3-6-16(9-15(14)11-20(19)25-2)21-12-18(23)13-4-7-17(22)8-5-13/h4-5,7-8,10-11,16,18,21-23H,3,6,9,12H2,1-2H3
InChIKey
HAJLJESAIQTSLK-UHFFFAOYSA-N
Compound name
4-[2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-hydroxyethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

343.17834 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.185616 180.6
[M+Na]+ 366.167558 184.9
[M-H]- 342.171064 184.8
[M+NH4]+ 361.212163 193.1
[M+K]+ 382.141498 181.1
[M+H-H2O]+ 326.175600 172.3
[M+HCOO]- 388.176541 197.4
[M+CH3COO]- 402.192191 212.6
[M+Na-2H]- 364.153006 182.4
[M]+ 343.17779142 179.9
[M]- 343.17888858 179.9
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