CID 486949

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

Structural Information

Molecular Formula
C18H22N2O
SMILES
CC1=CC(=CC=C1)CC2=C(C(=O)NC3=C2CCC3)N(C)C
InChI
InChI=1S/C18H22N2O/c1-12-6-4-7-13(10-12)11-15-14-8-5-9-16(14)19-18(21)17(15)20(2)3/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,19,21)
InChIKey
IGQCGPPZLPJKAN-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-4-[(3-methylphenyl)methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.17322 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 167.2
[M+Na]+ 305.16244 175.1
[M-H]- 281.16594 173.9
[M+NH4]+ 300.20704 184.7
[M+K]+ 321.13638 170.1
[M+H-H2O]+ 265.17048 159.3
[M+HCOO]- 327.17142 188.5
[M+CH3COO]- 341.18707 206.1
[M+Na-2H]- 303.14789 168.9
[M]+ 282.17267 167.3
[M]- 282.17377 167.3
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.