CID 486883

Chembl185865

Structural Information

Molecular Formula
C17H21BrN2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC=C2)Br)N(C)C)C
InChI
InChI=1S/C17H21BrN2O/c1-5-14-11(2)19-17(21)16(20(3)4)15(14)10-12-7-6-8-13(18)9-12/h6-9H,5,10H2,1-4H3,(H,19,21)
InChIKey
BKMWUGPRZGMWOW-UHFFFAOYSA-N
Compound name
4-[(3-bromophenyl)methyl]-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.08374 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.09102 173.1
[M+Na]+ 371.07296 184.5
[M-H]- 347.07646 181.4
[M+NH4]+ 366.11756 189.3
[M+K]+ 387.04690 171.7
[M+H-H2O]+ 331.08100 170.7
[M+HCOO]- 393.08194 192.9
[M+CH3COO]- 407.09759 214.7
[M+Na-2H]- 369.05841 176.1
[M]+ 348.08319 193.5
[M]- 348.08429 193.5
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.