CID 176105

Dlh-1777

Structural Information

Molecular Formula
C21H27BrN2O2
SMILES
CCCC1=C(C(=O)C(=C(N1C)C)Br)C(=O)NC2=C(C=CC=C2CC)CC
InChI
InChI=1S/C21H27BrN2O2/c1-6-10-16-17(20(25)18(22)13(4)24(16)5)21(26)23-19-14(7-2)11-9-12-15(19)8-3/h9,11-12H,6-8,10H2,1-5H3,(H,23,26)
InChIKey
ZEDBKLKZKCELIS-UHFFFAOYSA-N
Compound name
5-bromo-N-(2,6-diethylphenyl)-1,6-dimethyl-4-oxo-2-propylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

418.12558 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.13286 191.6
[M+Na]+ 441.11480 203.0
[M-H]- 417.11830 199.8
[M+NH4]+ 436.15940 205.4
[M+K]+ 457.08874 189.6
[M+H-H2O]+ 401.12284 188.4
[M+HCOO]- 463.12378 210.2
[M+CH3COO]- 477.13943 228.9
[M+Na-2H]- 439.10025 191.2
[M]+ 418.12503 214.4
[M]- 418.12613 214.4
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

patents stripe