CID 3012796

Chembl359913

Structural Information

Molecular Formula
C21H25N3O3
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC=C2)N3CCCC3=O)N(C)C)C
InChI
InChI=1S/C21H25N3O3/c1-5-16-13(2)22-21(27)19(23(3)4)18(16)20(26)14-8-6-9-15(12-14)24-11-7-10-17(24)25/h6,8-9,12H,5,7,10-11H2,1-4H3,(H,22,27)
InChIKey
BNCNGKDXQAOQCT-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.1896 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.19688 188.1
[M+Na]+ 390.17882 195.2
[M-H]- 366.18232 195.9
[M+NH4]+ 385.22342 199.4
[M+K]+ 406.15276 190.5
[M+H-H2O]+ 350.18686 178.6
[M+HCOO]- 412.18780 206.9
[M+CH3COO]- 426.20345 222.7
[M+Na-2H]- 388.16427 184.5
[M]+ 367.18905 188.7
[M]- 367.19015 188.7
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.