CID 487000

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

Structural Information

Molecular Formula
C19H25BrN2O2
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC=C2)Br)N(C)CCOC)C
InChI
InChI=1S/C19H25BrN2O2/c1-5-16-13(2)21-19(23)18(22(3)9-10-24-4)17(16)12-14-7-6-8-15(20)11-14/h6-8,11H,5,9-10,12H2,1-4H3,(H,21,23)
InChIKey
SLGOSMQJOROYTD-UHFFFAOYSA-N
Compound name
4-[(3-bromophenyl)methyl]-5-ethyl-3-[2-methoxyethyl(methyl)amino]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.10995 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.11723 185.0
[M+Na]+ 415.09917 195.3
[M-H]- 391.10267 192.8
[M+NH4]+ 410.14377 199.3
[M+K]+ 431.07311 182.7
[M+H-H2O]+ 375.10721 181.8
[M+HCOO]- 437.10815 204.2
[M+CH3COO]- 451.12380 222.2
[M+Na-2H]- 413.08462 186.9
[M]+ 392.10940 207.2
[M]- 392.11050 207.2
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.