CID 5274528

1-(4-cyanophenyl)-5-(2-morpholinoethyl)-2-oxo-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile

Structural Information

Molecular Formula
C25H23N5O2
SMILES
C1COCCN1CCN2C3C=C(C(=O)N(C3C4=CC=CC=C42)C5=CC=C(C=C5)C#N)C#N
InChI
InChI=1S/C25H23N5O2/c26-16-18-5-7-20(8-6-18)30-24-21-3-1-2-4-22(21)29(10-9-28-11-13-32-14-12-28)23(24)15-19(17-27)25(30)31/h1-8,15,23-24H,9-14H2
InChIKey
ZYCXFTOTSSRDEC-UHFFFAOYSA-N
Compound name
1-(4-cyanophenyl)-5-(2-morpholin-4-ylethyl)-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

425.18518 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.19246 193.5
[M+Na]+ 448.17440 203.1
[M-H]- 424.17790 195.2
[M+NH4]+ 443.21900 197.6
[M+K]+ 464.14834 191.1
[M+H-H2O]+ 408.18244 173.6
[M+HCOO]- 470.18338 196.6
[M+CH3COO]- 484.19903 196.3
[M+Na-2H]- 446.15985 190.6
[M]+ 425.18463 182.7
[M]- 425.18573 182.7
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

No patent data available for this compound.