CID 5369143

Nsc128311

Structural Information

Molecular Formula
C26H23Cl2N3O2
SMILES
C1CCN(CC1)CCN2C(=O)C3=C(C2=O)C(=NC4=CC=CC=C43)/C=C/C5=CC(=C(C=C5)Cl)Cl
InChI
InChI=1S/C26H23Cl2N3O2/c27-19-10-8-17(16-20(19)28)9-11-22-24-23(18-6-2-3-7-21(18)29-22)25(32)31(26(24)33)15-14-30-12-4-1-5-13-30/h2-3,6-11,16H,1,4-5,12-15H2/b11-9+
InChIKey
FMEXYMLLUKMJGC-PKNBQFBNSA-N
Compound name
4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2-(2-piperidin-1-ylethyl)pyrrolo[3,4-c]quinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.11673 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.12401 219.1
[M+Na]+ 502.10595 227.8
[M-H]- 478.10945 224.6
[M+NH4]+ 497.15055 227.5
[M+K]+ 518.07989 217.4
[M+H-H2O]+ 462.11399 206.8
[M+HCOO]- 524.11493 221.7
[M+CH3COO]- 538.13058 225.3
[M+Na-2H]- 500.09140 214.8
[M]+ 479.11618 220.1
[M]- 479.11728 220.1
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.