CID 5728188

3-nitro-1-phenyl-4-{4-[(2e)-3-phenylprop-2-en-1-yl]piperazin-1-yl}quinolin-2(1h)-one

Structural Information

Molecular Formula
C28H26N4O3
SMILES
C1CN(CCN1C/C=C/C2=CC=CC=C2)C3=C(C(=O)N(C4=CC=CC=C43)C5=CC=CC=C5)[N+](=O)[O-]
InChI
InChI=1S/C28H26N4O3/c33-28-27(32(34)35)26(24-15-7-8-16-25(24)31(28)23-13-5-2-6-14-23)30-20-18-29(19-21-30)17-9-12-22-10-3-1-4-11-22/h1-16H,17-21H2/b12-9+
InChIKey
SHEIURDAWMEWHQ-FMIVXFBMSA-N
Compound name
3-nitro-1-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.2005 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.207776 216.6
[M+Na]+ 489.189718 219.3
[M-H]- 465.193224 224.2
[M+NH4]+ 484.234323 218.6
[M+K]+ 505.163658 206.5
[M+H-H2O]+ 449.197760 205.3
[M+HCOO]- 511.198701 230.2
[M+CH3COO]- 525.214351 230.1
[M+Na-2H]- 487.175166 220.0
[M]+ 466.19995142 210.3
[M]- 466.20104858 210.3
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.