CID 3072532

142944-44-3

Structural Information

Molecular Formula
C25H28Cl2N4O
SMILES
CN1C2=C(C=C(C=C2)Cl)C3=C1C(=O)N(CC3)CCCN4CCN(CC4)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C25H28Cl2N4O/c1-28-23-7-6-19(27)17-22(23)21-8-11-31(25(32)24(21)28)10-3-9-29-12-14-30(15-13-29)20-5-2-4-18(26)16-20/h2,4-7,16-17H,3,8-15H2,1H3
InChIKey
FHMDBURDYMIBDF-UHFFFAOYSA-N
Compound name
6-chloro-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-9-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.16403 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.17131 214.4
[M+Na]+ 493.15325 231.8
[M+NH4]+ 488.19785 222.4
[M+K]+ 509.12719 222.1
[M-H]- 469.15675 219.8
[M+Na-2H]- 491.13870 220.1
[M]+ 470.16348 219.1
[M]- 470.16458 219.1
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.