CID 5311064

Denopamine

Structural Information

Molecular Formula
C18H23NO4
SMILES
COC1=C(C=C(C=C1)CCNC[C@@H](C2=CC=C(C=C2)O)O)OC
InChI
InChI=1S/C18H23NO4/c1-22-17-8-3-13(11-18(17)23-2)9-10-19-12-16(21)14-4-6-15(20)7-5-14/h3-8,11,16,19-21H,9-10,12H2,1-2H3/t16-/m0/s1
InChIKey
VHSBBVZJABQOSG-INIZCTEOSA-N
Compound name
4-[(1R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

124
References

2085
Patents

317.16272 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17000 175.0
[M+Na]+ 340.15194 180.1
[M-H]- 316.15544 178.8
[M+NH4]+ 335.19654 187.7
[M+K]+ 356.12588 176.6
[M+H-H2O]+ 300.15998 166.7
[M+HCOO]- 362.16092 195.7
[M+CH3COO]- 376.17657 206.7
[M+Na-2H]- 338.13739 177.0
[M]+ 317.16217 177.3
[M]- 317.16327 177.3
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.