CID 3012797

Chembl426247

Structural Information

Molecular Formula
C21H23N3O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC=C2)N3C=CC=C3)N(C)C)C
InChI
InChI=1S/C21H23N3O2/c1-5-17-14(2)22-21(26)19(23(3)4)18(17)20(25)15-9-8-10-16(13-15)24-11-6-7-12-24/h6-13H,5H2,1-4H3,(H,22,26)
InChIKey
KDCFBUAKHANLGQ-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-(3-pyrrol-1-ylbenzoyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.17902 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18630 184.4
[M+Na]+ 372.16824 192.5
[M-H]- 348.17174 192.6
[M+NH4]+ 367.21284 196.4
[M+K]+ 388.14218 187.3
[M+H-H2O]+ 332.17628 174.5
[M+HCOO]- 394.17722 205.6
[M+CH3COO]- 408.19287 219.2
[M+Na-2H]- 370.15369 183.2
[M]+ 349.17847 186.7
[M]- 349.17957 186.7
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.