CID 3075424

180537-72-8

Structural Information

Molecular Formula
C17H15BrN2O3
SMILES
CC1=CC(=C(C=C1)C(=O)CC(=O)C(=O)NC2=NC=C(C=C2)Br)C
InChI
InChI=1S/C17H15BrN2O3/c1-10-3-5-13(11(2)7-10)14(21)8-15(22)17(23)20-16-6-4-12(18)9-19-16/h3-7,9H,8H2,1-2H3,(H,19,20,23)
InChIKey
QWMKLSSCBLCXCD-UHFFFAOYSA-N
Compound name
N-(5-bromopyridin-2-yl)-4-(2,4-dimethylphenyl)-2,4-dioxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0266 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.03388 175.8
[M+Na]+ 397.01582 185.1
[M-H]- 373.01932 183.6
[M+NH4]+ 392.06042 189.8
[M+K]+ 412.98976 173.4
[M+H-H2O]+ 357.02386 173.0
[M+HCOO]- 419.02480 194.5
[M+CH3COO]- 433.04045 215.9
[M+Na-2H]- 395.00127 178.2
[M]+ 374.02605 195.5
[M]- 374.02715 195.5
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.