CID 486995

4-(3-bromobenzoyl)-5-ethyl-6-methyl-3-(methylamino)-1h-pyridin-2-one

Structural Information

Molecular Formula
C16H17BrN2O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC=C2)Br)NC)C
InChI
InChI=1S/C16H17BrN2O2/c1-4-12-9(2)19-16(21)14(18-3)13(12)15(20)10-6-5-7-11(17)8-10/h5-8,18H,4H2,1-3H3,(H,19,21)
InChIKey
PVPLRADLNNDBMN-UHFFFAOYSA-N
Compound name
4-(3-bromobenzoyl)-5-ethyl-6-methyl-3-(methylamino)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.04733 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.05461 170.6
[M+Na]+ 371.03655 182.0
[M-H]- 347.04005 177.7
[M+NH4]+ 366.08115 185.8
[M+K]+ 387.01049 168.6
[M+H-H2O]+ 331.04459 168.3
[M+HCOO]- 393.04553 189.5
[M+CH3COO]- 407.06118 211.0
[M+Na-2H]- 369.02200 173.6
[M]+ 348.04678 189.5
[M]- 348.04788 189.5
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.