CID 3522086

8,9-dimethoxy-10b-phenyl-1,5,6,10b-tetrahydropyrrolo(2,1-a)isoquinolin-3(2h)-one

Structural Information

Molecular Formula
C20H21NO3
SMILES
COC1=C(C=C2C(=C1)CCN3C2(CCC3=O)C4=CC=CC=C4)OC
InChI
InChI=1S/C20H21NO3/c1-23-17-12-14-9-11-21-19(22)8-10-20(21,15-6-4-3-5-7-15)16(14)13-18(17)24-2/h3-7,12-13H,8-11H2,1-2H3
InChIKey
CTROPBWCMLPVJQ-UHFFFAOYSA-N
Compound name
8,9-dimethoxy-10b-phenyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

323.15213 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15941 176.9
[M+Na]+ 346.14135 185.1
[M-H]- 322.14485 183.9
[M+NH4]+ 341.18595 195.4
[M+K]+ 362.11529 180.2
[M+H-H2O]+ 306.14939 168.1
[M+HCOO]- 368.15033 194.5
[M+CH3COO]- 382.16598 187.9
[M+Na-2H]- 344.12680 180.0
[M]+ 323.15158 177.7
[M]- 323.15268 177.7
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