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]+ 297.159746 169.2
[M+Na]+ 319.141688 176.9
[M-H]- 295.145194 176.0
[M+NH4]+ 314.186293 185.8
[M+K]+ 335.115628 172.5
[M+H-H2O]+ 279.149730 161.4
[M+HCOO]- 341.150671 189.8
[M+CH3COO]- 355.166321 208.4
[M+Na-2H]- 317.127136 169.9
[M]+ 296.15192142 169.4
[M]- 296.15301858 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.