CID 3075508

1h-pyrido(3,4-b)indole-1,3(2h)-dione, 4,9-dihydro-9-methyl-2-(3-(4-morpholinyl)propyl)-

Structural Information

Molecular Formula
C19H23N3O3
SMILES
CN1C2=CC=CC=C2C3=C1C(=O)N(C(=O)C3)CCCN4CCOCC4
InChI
InChI=1S/C19H23N3O3/c1-20-16-6-3-2-5-14(16)15-13-17(23)22(19(24)18(15)20)8-4-7-21-9-11-25-12-10-21/h2-3,5-6H,4,7-13H2,1H3
InChIKey
UXCOIFBRYSUXIC-UHFFFAOYSA-N
Compound name
9-methyl-2-(3-morpholin-4-ylpropyl)-4H-pyrido[3,4-b]indole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.17395 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.18123 183.0
[M+Na]+ 364.16317 190.8
[M-H]- 340.16667 187.4
[M+NH4]+ 359.20777 194.7
[M+K]+ 380.13711 186.1
[M+H-H2O]+ 324.17121 172.7
[M+HCOO]- 386.17215 195.8
[M+CH3COO]- 400.18780 192.2
[M+Na-2H]- 362.14862 183.8
[M]+ 341.17340 183.0
[M]- 341.17450 183.0
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.