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

2
Patents

343.17834 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18562 180.6
[M+Na]+ 366.16756 184.9
[M-H]- 342.17106 184.8
[M+NH4]+ 361.21216 193.1
[M+K]+ 382.14150 181.1
[M+H-H2O]+ 326.17560 172.3
[M+HCOO]- 388.17654 197.4
[M+CH3COO]- 402.19219 212.6
[M+Na-2H]- 364.15301 182.4
[M]+ 343.17779 179.9
[M]- 343.17889 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