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 217.6
[M+Na]+ 493.15325 226.1
[M-H]- 469.15675 221.6
[M+NH4]+ 488.19785 225.0
[M+K]+ 509.12719 216.1
[M+H-H2O]+ 453.16129 204.2
[M+HCOO]- 515.16223 218.4
[M+CH3COO]- 529.17788 223.3
[M+Na-2H]- 491.13870 213.4
[M]+ 470.16348 218.6
[M]- 470.16458 218.6
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.