CID 3044799

Brn 0574409

Structural Information

Molecular Formula
C21H27N3O
SMILES
CN1CCN(CC1)CCC(=O)C2=C3C(=CC4=CC=CC=C4N3C)CC2
InChI
InChI=1S/C21H27N3O/c1-22-11-13-24(14-12-22)10-9-20(25)18-8-7-17-15-16-5-3-4-6-19(16)23(2)21(17)18/h3-6,15H,7-14H2,1-2H3
InChIKey
DCESZXIGYCCYRE-UHFFFAOYSA-N
Compound name
1-(4-methyl-1,2-dihydrocyclopenta[b]quinolin-3-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.21542 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 186.0
[M+Na]+ 360.20464 191.5
[M-H]- 336.20814 189.1
[M+NH4]+ 355.24924 199.0
[M+K]+ 376.17858 185.2
[M+H-H2O]+ 320.21268 175.3
[M+HCOO]- 382.21362 197.6
[M+CH3COO]- 396.22927 194.1
[M+Na-2H]- 358.19009 184.8
[M]+ 337.21487 182.9
[M]- 337.21597 182.9
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.