CID 5274504

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

Structural Information

Molecular Formula
C26H28N6O3
SMILES
CN1CCN(CC1)CCCN2C3C=C(C(=O)N(C3C4=CC=CC=C42)C5=CC=C(C=C5)[N+](=O)[O-])C#N
InChI
InChI=1S/C26H28N6O3/c1-28-13-15-29(16-14-28)11-4-12-30-23-6-3-2-5-22(23)25-24(30)17-19(18-27)26(33)31(25)20-7-9-21(10-8-20)32(34)35/h2-3,5-10,17,24-25H,4,11-16H2,1H3
InChIKey
NRDCIIUGTSPTGR-UHFFFAOYSA-N
Compound name
5-[3-(4-methylpiperazin-1-yl)propyl]-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

472.2223 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.22958 215.9
[M+Na]+ 495.21152 221.3
[M-H]- 471.21502 217.6
[M+NH4]+ 490.25612 218.9
[M+K]+ 511.18546 206.7
[M+H-H2O]+ 455.21956 200.1
[M+HCOO]- 517.22050 222.4
[M+CH3COO]- 531.23615 240.4
[M+Na-2H]- 493.19697 214.6
[M]+ 472.22175 205.3
[M]- 472.22285 205.3
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.