CID 486996

2(1h)-pyridinone, 3-bis(2-methoxyethyl)amino-5-ethyl-6-methyl-4-(3-methylphenyl)methyl-

Structural Information

Molecular Formula
C22H32N2O3
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC=CC(=C2)C)N(CCOC)CCOC)C
InChI
InChI=1S/C22H32N2O3/c1-6-19-17(3)23-22(25)21(24(10-12-26-4)11-13-27-5)20(19)15-18-9-7-8-16(2)14-18/h7-9,14H,6,10-13,15H2,1-5H3,(H,23,25)
InChIKey
RGIQRTACIOFDJL-UHFFFAOYSA-N
Compound name
3-[bis(2-methoxyethyl)amino]-5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.2413 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.24858 193.5
[M+Na]+ 395.23052 200.0
[M-H]- 371.23402 198.8
[M+NH4]+ 390.27512 204.7
[M+K]+ 411.20446 195.9
[M+H-H2O]+ 355.23856 183.7
[M+HCOO]- 417.23950 214.5
[M+CH3COO]- 431.25515 225.7
[M+Na-2H]- 393.21597 192.9
[M]+ 372.24075 200.1
[M]- 372.24185 200.1
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.