CID 5274498

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

Structural Information

Molecular Formula
C25H24N6O4
SMILES
CN1CCN(CC1)C(=O)CN2C3C=C(C(=O)N(C3C4=CC=CC=C42)C5=CC=C(C=C5)[N+](=O)[O-])C#N
InChI
InChI=1S/C25H24N6O4/c1-27-10-12-28(13-11-27)23(32)16-29-21-5-3-2-4-20(21)24-22(29)14-17(15-26)25(33)30(24)18-6-8-19(9-7-18)31(34)35/h2-9,14,22,24H,10-13,16H2,1H3
InChIKey
JFFJRCGWDIBBAS-UHFFFAOYSA-N
Compound name
5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-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

472.1859 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.19318 214.9
[M+Na]+ 495.17512 220.3
[M-H]- 471.17862 216.9
[M+NH4]+ 490.21972 217.6
[M+K]+ 511.14906 206.7
[M+H-H2O]+ 455.18316 199.5
[M+HCOO]- 517.18410 221.0
[M+CH3COO]- 531.19975 239.2
[M+Na-2H]- 493.16057 213.4
[M]+ 472.18535 204.0
[M]- 472.18645 204.0
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.