CID 3044798

Brn 0430321

Structural Information

Molecular Formula
C18H22N2O
SMILES
CN1C2=CC=CC=C2C=C3C1=C(CC3)C(=O)CCN(C)C
InChI
InChI=1S/C18H22N2O/c1-19(2)11-10-17(21)15-9-8-14-12-13-6-4-5-7-16(13)20(3)18(14)15/h4-7,12H,8-11H2,1-3H3
InChIKey
ADRXSDRSSHBUID-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-(4-methyl-1,2-dihydrocyclopenta[b]quinolin-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.17322 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.180496 168.6
[M+Na]+ 305.162438 175.6
[M-H]- 281.165944 173.7
[M+NH4]+ 300.207043 187.6
[M+K]+ 321.136378 171.9
[M+H-H2O]+ 265.170480 160.8
[M+HCOO]- 327.171421 188.6
[M+CH3COO]- 341.187071 210.0
[M+Na-2H]- 303.147886 170.8
[M]+ 282.17267142 170.7
[M]- 282.17376858 170.7
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.