CID 486901

3-amino-4-[(benzylamino)methyl]-5-ethyl-6-methyl-1h-pyridin-2-one

Structural Information

Molecular Formula
C16H21N3O
SMILES
CCC1=C(NC(=O)C(=C1CNCC2=CC=CC=C2)N)C
InChI
InChI=1S/C16H21N3O/c1-3-13-11(2)19-16(20)15(17)14(13)10-18-9-12-7-5-4-6-8-12/h4-8,18H,3,9-10,17H2,1-2H3,(H,19,20)
InChIKey
MTZVHLIQBAGLEM-UHFFFAOYSA-N
Compound name
3-amino-4-[(benzylamino)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.16846 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17574 165.0
[M+Na]+ 294.15768 172.6
[M-H]- 270.16118 169.1
[M+NH4]+ 289.20228 179.0
[M+K]+ 310.13162 166.7
[M+H-H2O]+ 254.16572 156.6
[M+HCOO]- 316.16666 187.7
[M+CH3COO]- 330.18231 203.6
[M+Na-2H]- 292.14313 168.4
[M]+ 271.16791 163.4
[M]- 271.16901 163.4
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.