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]+ 473.193176 214.9
[M+Na]+ 495.175118 220.3
[M-H]- 471.178624 216.9
[M+NH4]+ 490.219723 217.6
[M+K]+ 511.149058 206.7
[M+H-H2O]+ 455.183160 199.5
[M+HCOO]- 517.184101 221.0
[M+CH3COO]- 531.199751 239.2
[M+Na-2H]- 493.160566 213.4
[M]+ 472.18535142 204.0
[M]- 472.18644858 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.