CID 6480043

Chembl188574

Structural Information

Molecular Formula
C23H24N2O2S
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)/C=C/C3=CSC=C3)N(C)C)C
InChI
InChI=1S/C23H24N2O2S/c1-5-19-15(2)24-23(27)21(25(3)4)20(19)22(26)18-8-6-7-16(13-18)9-10-17-11-12-28-14-17/h6-14H,5H2,1-4H3,(H,24,27)/b10-9+
InChIKey
PCKMQYIUSPFYGV-MDZDMXLPSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-thiophen-3-ylethenyl]benzoyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.15585 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.16313 196.0
[M+Na]+ 415.14507 203.9
[M-H]- 391.14857 205.3
[M+NH4]+ 410.18967 208.4
[M+K]+ 431.11901 197.1
[M+H-H2O]+ 375.15311 187.2
[M+HCOO]- 437.15405 213.1
[M+CH3COO]- 451.16970 224.4
[M+Na-2H]- 413.13052 191.5
[M]+ 392.15530 200.1
[M]- 392.15640 200.1
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.