CID 454379

145902-01-8

Structural Information

Molecular Formula
C18H23N3O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=C(C=C3CCCC3=N2)OC)C
InChI
InChI=1S/C18H23N3O2/c1-4-12-8-15(18(22)20-11(12)2)19-10-16-17(23-3)9-13-6-5-7-14(13)21-16/h8-9,19H,4-7,10H2,1-3H3,(H,20,22)
InChIKey
GLWMYGWOLFUWSL-UHFFFAOYSA-N
Compound name
5-ethyl-3-[(3-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)methylamino]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.17902 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18630 175.2
[M+Na]+ 336.16824 183.7
[M-H]- 312.17174 179.4
[M+NH4]+ 331.21284 189.6
[M+K]+ 352.14218 177.9
[M+H-H2O]+ 296.17628 166.5
[M+HCOO]- 358.17722 194.8
[M+CH3COO]- 372.19287 209.0
[M+Na-2H]- 334.15369 177.0
[M]+ 313.17847 176.5
[M]- 313.17957 176.5
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

No patent data available for this compound.