CID 3012802

Chembl361250

Structural Information

Molecular Formula
C22H23N3O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)C3=CN=CC=C3)N(C)C)C
InChI
InChI=1S/C22H23N3O2/c1-5-18-14(2)24-22(27)20(25(3)4)19(18)21(26)16-9-6-8-15(12-16)17-10-7-11-23-13-17/h6-13H,5H2,1-4H3,(H,24,27)
InChIKey
JHPWLHDMYDPCMU-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-(3-pyridin-3-ylbenzoyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.17902 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18630 188.6
[M+Na]+ 384.16824 196.4
[M-H]- 360.17174 196.3
[M+NH4]+ 379.21284 198.0
[M+K]+ 400.14218 190.7
[M+H-H2O]+ 344.17628 177.6
[M+HCOO]- 406.17722 208.5
[M+CH3COO]- 420.19287 222.5
[M+Na-2H]- 382.15369 189.5
[M]+ 361.17847 190.2
[M]- 361.17957 190.2
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.