CID 5274508

Ethyl 2-[3-cyano-1-(4-nitrophenyl)-2-oxo-4a,9b-dihydropyrido[3,2-b]indol-5-yl]acetate

Structural Information

Molecular Formula
C22H18N4O5
SMILES
CCOC(=O)CN1C2C=C(C(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)[N+](=O)[O-])C#N
InChI
InChI=1S/C22H18N4O5/c1-2-31-20(27)13-24-18-6-4-3-5-17(18)21-19(24)11-14(12-23)22(28)25(21)15-7-9-16(10-8-15)26(29)30/h3-11,19,21H,2,13H2,1H3
InChIKey
HTCNEUCZVKTCLU-UHFFFAOYSA-N
Compound name
ethyl 2-[3-cyano-1-(4-nitrophenyl)-2-oxo-4a,9b-dihydropyrido[3,2-b]indol-5-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.12772 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.13500 204.0
[M+Na]+ 441.11694 212.0
[M-H]- 417.12044 207.3
[M+NH4]+ 436.16154 212.2
[M+K]+ 457.09088 200.3
[M+H-H2O]+ 401.12498 191.5
[M+HCOO]- 463.12592 216.9
[M+CH3COO]- 477.14157 229.6
[M+Na-2H]- 439.10239 205.0
[M]+ 418.12717 198.8
[M]- 418.12827 198.8
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.