CID 454376

145902-00-7

Structural Information

Molecular Formula
C19H25N3O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=C(N=C3CCCCC3=C2)OC)C
InChI
InChI=1S/C19H25N3O2/c1-4-13-10-17(18(23)21-12(13)2)20-11-15-9-14-7-5-6-8-16(14)22-19(15)24-3/h9-10,20H,4-8,11H2,1-3H3,(H,21,23)
InChIKey
AKMOFCCUOFEFKO-UHFFFAOYSA-N
Compound name
5-ethyl-3-[(2-methoxy-5,6,7,8-tetrahydroquinolin-3-yl)methylamino]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

327.19467 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.20195 180.4
[M+Na]+ 350.18389 187.5
[M-H]- 326.18739 183.7
[M+NH4]+ 345.22849 192.1
[M+K]+ 366.15783 181.5
[M+H-H2O]+ 310.19193 170.6
[M+HCOO]- 372.19287 197.2
[M+CH3COO]- 386.20852 212.6
[M+Na-2H]- 348.16934 183.4
[M]+ 327.19412 179.6
[M]- 327.19522 179.6
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

patents stripe