CID 5274491

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

Structural Information

Molecular Formula
C23H20N4O3
SMILES
C1CCC(C1)N2C3C=C(C(=O)N(C3C4=CC=CC=C42)C5=CC=C(C=C5)[N+](=O)[O-])C#N
InChI
InChI=1S/C23H20N4O3/c24-14-15-13-21-22(26(23(15)28)17-9-11-18(12-10-17)27(29)30)19-7-3-4-8-20(19)25(21)16-5-1-2-6-16/h3-4,7-13,16,21-22H,1-2,5-6H2
InChIKey
NVONHXSMFFLBNO-UHFFFAOYSA-N
Compound name
5-cyclopentyl-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

400.15353 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.16081 201.9
[M+Na]+ 423.14275 209.7
[M-H]- 399.14625 207.6
[M+NH4]+ 418.18735 212.1
[M+K]+ 439.11669 195.2
[M+H-H2O]+ 383.15079 189.3
[M+HCOO]- 445.15173 214.3
[M+CH3COO]- 459.16738 226.2
[M+Na-2H]- 421.12820 200.4
[M]+ 400.15298 191.9
[M]- 400.15408 191.9
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.