CID 3044800

Brn 0424029

Structural Information

Molecular Formula
C17H20N2O
SMILES
CN1C2=CC=CC=C2C=C3C1=C(CC3)C(=O)CN(C)C
InChI
InChI=1S/C17H20N2O/c1-18(2)11-16(20)14-9-8-13-10-12-6-4-5-7-15(12)19(3)17(13)14/h4-7,10H,8-9,11H2,1-3H3
InChIKey
CVLQEMGQECDFSS-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-(4-methyl-1,2-dihydrocyclopenta[b]quinolin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.15756 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 163.8
[M+Na]+ 291.14678 171.3
[M-H]- 267.15028 169.1
[M+NH4]+ 286.19138 183.4
[M+K]+ 307.12072 167.8
[M+H-H2O]+ 251.15482 156.3
[M+HCOO]- 313.15576 184.2
[M+CH3COO]- 327.17141 207.1
[M+Na-2H]- 289.13223 166.6
[M]+ 268.15701 165.6
[M]- 268.15811 165.6
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.