CID 6480047

Chembl186460

Structural Information

Molecular Formula
C22H23N3O2S
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)/C=C\C3=NC=CS3)N(C)C)C
InChI
InChI=1S/C22H23N3O2S/c1-5-17-14(2)24-22(27)20(25(3)4)19(17)21(26)16-8-6-7-15(13-16)9-10-18-23-11-12-28-18/h6-13H,5H2,1-4H3,(H,24,27)/b10-9-
InChIKey
VUJPIWHYIZLNND-KTKRTIGZSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]benzoyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.1511 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.15838 195.6
[M+Na]+ 416.14032 204.0
[M-H]- 392.14382 203.8
[M+NH4]+ 411.18492 206.6
[M+K]+ 432.11426 197.1
[M+H-H2O]+ 376.14836 186.3
[M+HCOO]- 438.14930 211.8
[M+CH3COO]- 452.16495 224.1
[M+Na-2H]- 414.12577 191.6
[M]+ 393.15055 199.8
[M]- 393.15165 199.8
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.