CID 5274492

1h-pyrido[3,2-b]indole-3-carbonitrile, 2,4a,5,9b-tetrahydro-5-[2-(4-morpholinyl)ethyl]-1-(4-nitrophenyl)-2-oxo-

Structural Information

Molecular Formula
C24H23N5O4
SMILES
C1COCCN1CCN2C3C=C(C(=O)N(C3C4=CC=CC=C42)C5=CC=C(C=C5)[N+](=O)[O-])C#N
InChI
InChI=1S/C24H23N5O4/c25-16-17-15-22-23(28(24(17)30)18-5-7-19(8-6-18)29(31)32)20-3-1-2-4-21(20)27(22)10-9-26-11-13-33-14-12-26/h1-8,15,22-23H,9-14H2
InChIKey
GLNYRIHVIFDOGM-UHFFFAOYSA-N
Compound name
5-(2-morpholin-4-ylethyl)-1-(4-nitrophenyl)-2-oxo-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.17502 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.18230 206.9
[M+Na]+ 468.16424 212.9
[M-H]- 444.16774 210.5
[M+NH4]+ 463.20884 210.8
[M+K]+ 484.13818 200.0
[M+H-H2O]+ 428.17228 191.9
[M+HCOO]- 490.17322 214.8
[M+CH3COO]- 504.18887 234.0
[M+Na-2H]- 466.14969 207.5
[M]+ 445.17447 196.9
[M]- 445.17557 196.9
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.