CID 3072529

142944-40-9

Structural Information

Molecular Formula
C25H29ClN4O
SMILES
CN1C2=C(C=C(C=C2)Cl)C3=C1C(=O)N(CC3)CCCN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C25H29ClN4O/c1-27-23-9-8-19(26)18-22(23)21-10-13-30(25(31)24(21)27)12-5-11-28-14-16-29(17-15-28)20-6-3-2-4-7-20/h2-4,6-9,18H,5,10-17H2,1H3
InChIKey
YVBIKENKIZEUAA-UHFFFAOYSA-N
Compound name
6-chloro-9-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydropyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.203 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.21028 209.2
[M+Na]+ 459.19222 225.8
[M+NH4]+ 454.23682 217.2
[M+K]+ 475.16616 216.8
[M-H]- 435.19572 214.8
[M+Na-2H]- 457.17767 215.3
[M]+ 436.20245 213.6
[M]- 436.20355 213.6
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.