CID 5274495

1-(4-nitrophenyl)-2-oxo-5-[2-(1-piperidyl)ethyl]-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile

Structural Information

Molecular Formula
C25H25N5O3
SMILES
C1CCN(CC1)CCN2C3C=C(C(=O)N(C3C4=CC=CC=C42)C5=CC=C(C=C5)[N+](=O)[O-])C#N
InChI
InChI=1S/C25H25N5O3/c26-17-18-16-23-24(29(25(18)31)19-8-10-20(11-9-19)30(32)33)21-6-2-3-7-22(21)28(23)15-14-27-12-4-1-5-13-27/h2-3,6-11,16,23-24H,1,4-5,12-15H2
InChIKey
WHZOQAVRWAYGLP-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)-2-oxo-5-(2-piperidin-1-ylethyl)-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.19574 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.20302 209.7
[M+Na]+ 466.18496 215.3
[M-H]- 442.18846 212.7
[M+NH4]+ 461.22956 214.9
[M+K]+ 482.15890 200.6
[M+H-H2O]+ 426.19300 194.7
[M+HCOO]- 488.19394 217.9
[M+CH3COO]- 502.20959 234.3
[M+Na-2H]- 464.17041 209.2
[M]+ 443.19519 198.2
[M]- 443.19629 198.2
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.