CID 486964

3-(dimethylamino)-4-(3-methylbenzoyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

Structural Information

Molecular Formula
C18H20N2O2
SMILES
CC1=CC(=CC=C1)C(=O)C2=C(C(=O)NC3=C2CCC3)N(C)C
InChI
InChI=1S/C18H20N2O2/c1-11-6-4-7-12(10-11)17(21)15-13-8-5-9-14(13)19-18(22)16(15)20(2)3/h4,6-7,10H,5,8-9H2,1-3H3,(H,19,22)
InChIKey
HCWFFSUYUOMZKM-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-4-(3-methylbenzoyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.15247 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 169.2
[M+Na]+ 319.14169 176.9
[M-H]- 295.14519 176.0
[M+NH4]+ 314.18629 185.8
[M+K]+ 335.11563 172.5
[M+H-H2O]+ 279.14973 161.4
[M+HCOO]- 341.15067 189.8
[M+CH3COO]- 355.16632 208.4
[M+Na-2H]- 317.12714 169.9
[M]+ 296.15192 169.4
[M]- 296.15302 169.4
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.