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]+ 324.159406 176.9
[M+Na]+ 346.141348 185.1
[M-H]- 322.144854 183.9
[M+NH4]+ 341.185953 195.4
[M+K]+ 362.115288 180.2
[M+H-H2O]+ 306.149390 168.1
[M+HCOO]- 368.150331 194.5
[M+CH3COO]- 382.165981 187.9
[M+Na-2H]- 344.126796 180.0
[M]+ 323.15158142 177.7
[M]- 323.15267858 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