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 211.5
[M+Na]+ 459.19222 218.9
[M-H]- 435.19572 216.1
[M+NH4]+ 454.23682 219.5
[M+K]+ 475.16616 209.2
[M+H-H2O]+ 419.20026 197.9
[M+HCOO]- 481.20120 217.4
[M+CH3COO]- 495.21685 217.7
[M+Na-2H]- 457.17767 208.8
[M]+ 436.20245 210.7
[M]- 436.20355 210.7
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.