CID 3087837

St 571

Structural Information

Molecular Formula
C24H33NO3
SMILES
CCCN(CC(C1=CC=C(C=C1)C)O)C2CCC3=CC(=C(C=C3C2)OC)OC
InChI
InChI=1S/C24H33NO3/c1-5-12-25(16-22(26)18-8-6-17(2)7-9-18)21-11-10-19-14-23(27-3)24(28-4)15-20(19)13-21/h6-9,14-15,21-22,26H,5,10-13,16H2,1-4H3
InChIKey
YUNZNZVJQCKDMN-UHFFFAOYSA-N
Compound name
2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]-1-(4-methylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

383.24603 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.25331 196.5
[M+Na]+ 406.23525 199.7
[M-H]- 382.23875 202.6
[M+NH4]+ 401.27985 208.7
[M+K]+ 422.20919 196.4
[M+H-H2O]+ 366.24329 187.1
[M+HCOO]- 428.24423 213.6
[M+CH3COO]- 442.25988 227.7
[M+Na-2H]- 404.22070 195.5
[M]+ 383.24548 198.6
[M]- 383.24658 198.6
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

No patent data available for this compound.