CID 486987

3-(dimethylamino)-5-ethyl-6-methyl-4-[(pyrimidin-2-ylamino)methyl]-1h-pyridin-2-one

Structural Information

Molecular Formula
C15H21N5O
SMILES
CCC1=C(NC(=O)C(=C1CNC2=NC=CC=N2)N(C)C)C
InChI
InChI=1S/C15H21N5O/c1-5-11-10(2)19-14(21)13(20(3)4)12(11)9-18-15-16-7-6-8-17-15/h6-8H,5,9H2,1-4H3,(H,19,21)(H,16,17,18)
InChIKey
UWELALQOIZFVPI-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-[(pyrimidin-2-ylamino)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.17462 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.18190 170.1
[M+Na]+ 310.16384 178.3
[M-H]- 286.16734 173.5
[M+NH4]+ 305.20844 181.6
[M+K]+ 326.13778 173.7
[M+H-H2O]+ 270.17188 160.0
[M+HCOO]- 332.17282 191.5
[M+CH3COO]- 346.18847 210.0
[M+Na-2H]- 308.14929 174.6
[M]+ 287.17407 171.4
[M]- 287.17517 171.4
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.