CID 454360

145901-90-2

Structural Information

Molecular Formula
C15H19N3O
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=CC=CC=C2N)C
InChI
InChI=1S/C15H19N3O/c1-3-11-8-14(15(19)18-10(11)2)17-9-12-6-4-5-7-13(12)16/h4-8,17H,3,9,16H2,1-2H3,(H,18,19)
InChIKey
XLFWYAGBTJTTQN-UHFFFAOYSA-N
Compound name
3-[(2-aminophenyl)methylamino]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.1528 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.16008 160.6
[M+Na]+ 280.14202 168.6
[M-H]- 256.14552 164.8
[M+NH4]+ 275.18662 175.2
[M+K]+ 296.11596 163.0
[M+H-H2O]+ 240.15006 152.4
[M+HCOO]- 302.15100 183.6
[M+CH3COO]- 316.16665 200.6
[M+Na-2H]- 278.12747 164.5
[M]+ 257.15225 158.6
[M]- 257.15335 158.6
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

No patent data available for this compound.