CID 487001

4-(3-bromobenzoyl)-5-ethyl-3-[ethyl(methyl)amino]-6-methyl-1h-pyridin-2-one

Structural Information

Molecular Formula
C18H21BrN2O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC=C2)Br)N(C)CC)C
InChI
InChI=1S/C18H21BrN2O2/c1-5-14-11(3)20-18(23)16(21(4)6-2)15(14)17(22)12-8-7-9-13(19)10-12/h7-10H,5-6H2,1-4H3,(H,20,23)
InChIKey
VQQGXIWBIPQHHN-UHFFFAOYSA-N
Compound name
4-(3-bromobenzoyl)-5-ethyl-3-[ethyl(methyl)amino]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.07864 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.08592 178.7
[M+Na]+ 399.06786 189.4
[M-H]- 375.07136 186.9
[M+NH4]+ 394.11246 193.4
[M+K]+ 415.04180 177.0
[M+H-H2O]+ 359.07590 176.0
[M+HCOO]- 421.07684 197.5
[M+CH3COO]- 435.09249 219.6
[M+Na-2H]- 397.05331 180.2
[M]+ 376.07809 199.4
[M]- 376.07919 199.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.