CID 3044801

4h-cyclopenta(b)quinoline, 1,2-dihydro-4-methyl-3-(4-methyl-1-piperazinyl)acetyl-

Structural Information

Molecular Formula
C20H25N3O
SMILES
CN1CCN(CC1)CC(=O)C2=C3C(=CC4=CC=CC=C4N3C)CC2
InChI
InChI=1S/C20H25N3O/c1-21-9-11-23(12-10-21)14-19(24)17-8-7-16-13-15-5-3-4-6-18(15)22(2)20(16)17/h3-6,13H,7-12,14H2,1-2H3
InChIKey
JUDQVVBNFVIUGE-UHFFFAOYSA-N
Compound name
1-(4-methyl-1,2-dihydrocyclopenta[b]quinolin-3-yl)-2-(4-methylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.19977 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.207046 181.5
[M+Na]+ 346.188988 187.5
[M-H]- 322.192494 184.8
[M+NH4]+ 341.233593 195.1
[M+K]+ 362.162928 181.4
[M+H-H2O]+ 306.197030 171.0
[M+HCOO]- 368.197971 193.5
[M+CH3COO]- 382.213621 190.0
[M+Na-2H]- 344.174436 180.8
[M]+ 323.19922142 178.1
[M]- 323.20031858 178.1
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.