CID 454374

139548-21-3

Structural Information

Molecular Formula
C19H24N2O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=C(C=C3CCCC3=C2)OC)C
InChI
InChI=1S/C19H24N2O2/c1-4-13-9-17(19(22)21-12(13)2)20-11-16-8-14-6-5-7-15(14)10-18(16)23-3/h8-10,20H,4-7,11H2,1-3H3,(H,21,22)
InChIKey
MMHIUSFCQUDMTN-UHFFFAOYSA-N
Compound name
5-ethyl-3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylamino]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

312.18378 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19106 174.9
[M+Na]+ 335.17300 182.9
[M-H]- 311.17650 180.2
[M+NH4]+ 330.21760 190.7
[M+K]+ 351.14694 177.1
[M+H-H2O]+ 295.18104 166.9
[M+HCOO]- 357.18198 195.4
[M+CH3COO]- 371.19763 209.2
[M+Na-2H]- 333.15845 176.2
[M]+ 312.18323 175.9
[M]- 312.18433 175.9
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