CID 39585

6,7,8,9-tetrahydro-5-(cyclopentylacetyl)-8-methyl-5h-1,3-dioxolo(4,5-f)pyrido(4,3-b)indole hcl

Structural Information

Molecular Formula
C20H24N2O3
SMILES
CN1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)CC5CCCC5)OCO4
InChI
InChI=1S/C20H24N2O3/c1-21-7-6-16-15(11-21)14-9-18-19(25-12-24-18)10-17(14)22(16)20(23)8-13-4-2-3-5-13/h9-10,13H,2-8,11-12H2,1H3
InChIKey
SWFMLZFRYCKDRZ-UHFFFAOYSA-N
Compound name
2-cyclopentyl-1-(4-methyl-12,14-dioxa-4,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.17868 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18596 180.1
[M+Na]+ 363.16790 187.2
[M-H]- 339.17140 188.2
[M+NH4]+ 358.21250 196.5
[M+K]+ 379.14184 184.7
[M+H-H2O]+ 323.17594 174.2
[M+HCOO]- 385.17688 193.5
[M+CH3COO]- 399.19253 190.5
[M+Na-2H]- 361.15335 177.1
[M]+ 340.17813 181.0
[M]- 340.17923 181.0
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.