CID 5274490

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

Structural Information

Molecular Formula
C20H16N4O3
SMILES
CCN1C2C=C(C(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)[N+](=O)[O-])C#N
InChI
InChI=1S/C20H16N4O3/c1-2-22-17-6-4-3-5-16(17)19-18(22)11-13(12-21)20(25)23(19)14-7-9-15(10-8-14)24(26)27/h3-11,18-19H,2H2,1H3
InChIKey
PCHDOUBXRDGUAE-UHFFFAOYSA-N
Compound name
5-ethyl-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

360.12225 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12953 191.1
[M+Na]+ 383.11147 200.7
[M-H]- 359.11497 194.7
[M+NH4]+ 378.15607 201.9
[M+K]+ 399.08541 187.9
[M+H-H2O]+ 343.11951 178.9
[M+HCOO]- 405.12045 205.2
[M+CH3COO]- 419.13610 221.2
[M+Na-2H]- 381.09692 193.4
[M]+ 360.12170 184.3
[M]- 360.12280 184.3
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.