CID 5274514

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

Structural Information

Molecular Formula
C24H17N5O3
SMILES
C1=CC=C2C(=C1)C3C(N2CC4=CN=CC=C4)C=C(C(=O)N3C5=CC=C(C=C5)[N+](=O)[O-])C#N
InChI
InChI=1S/C24H17N5O3/c25-13-17-12-22-23(28(24(17)30)18-7-9-19(10-8-18)29(31)32)20-5-1-2-6-21(20)27(22)15-16-4-3-11-26-14-16/h1-12,14,22-23H,15H2
InChIKey
BHZGVGVZSBHESO-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)-2-oxo-5-(pyridin-3-ylmethyl)-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.13315 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.14043 207.2
[M+Na]+ 446.12237 215.6
[M-H]- 422.12587 211.1
[M+NH4]+ 441.16697 213.2
[M+K]+ 462.09631 200.8
[M+H-H2O]+ 406.13041 192.1
[M+HCOO]- 468.13135 219.2
[M+CH3COO]- 482.14700 230.7
[M+Na-2H]- 444.10782 209.2
[M]+ 423.13260 199.0
[M]- 423.13370 199.0
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.