CID 3080053

11h-pyrido(3,2-a)carbazole, 3-(4-methyl-1-piperazinyl)-

Structural Information

Molecular Formula
C20H20N4
SMILES
CN1CCN(CC1)C2=NC3=C(C=C2)C4=C(C=C3)C5=CC=CC=C5N4
InChI
InChI=1S/C20H20N4/c1-23-10-12-24(13-11-23)19-9-7-16-18(21-19)8-6-15-14-4-2-3-5-17(14)22-20(15)16/h2-9,22H,10-13H2,1H3
InChIKey
JGVGGLUBJHHSRP-UHFFFAOYSA-N
Compound name
3-(4-methylpiperazin-1-yl)-11H-pyrido[3,2-a]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

316.1688 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17608 176.6
[M+Na]+ 339.15802 186.7
[M-H]- 315.16152 179.6
[M+NH4]+ 334.20262 189.6
[M+K]+ 355.13196 177.6
[M+H-H2O]+ 299.16606 165.2
[M+HCOO]- 361.16700 190.3
[M+CH3COO]- 375.18265 186.0
[M+Na-2H]- 337.14347 182.2
[M]+ 316.16825 174.8
[M]- 316.16935 174.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.