CID 442169

Armepavine

Structural Information

Molecular Formula
C19H23NO3
SMILES
CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)OC)OC
InChI
InChI=1S/C19H23NO3/c1-20-9-8-14-11-18(22-2)19(23-3)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17,21H,8-10H2,1-3H3/t17-/m1/s1
InChIKey
ZBKFZIUKXTWQTP-QGZVFWFLSA-N
Compound name
4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

27
References

266
Patents

313.1678 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 175.3
[M+Na]+ 336.15702 182.9
[M-H]- 312.16052 180.2
[M+NH4]+ 331.20162 189.3
[M+K]+ 352.13096 178.5
[M+H-H2O]+ 296.16506 166.5
[M+HCOO]- 358.16600 192.5
[M+CH3COO]- 372.18165 207.5
[M+Na-2H]- 334.14247 177.8
[M]+ 313.16725 176.8
[M]- 313.16835 176.8
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.