CID 453436

135525-67-6

Structural Information

Molecular Formula
C16H18N4O
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=NC3=CC=CC=C3N2)C
InChI
InChI=1S/C16H18N4O/c1-3-11-8-14(16(21)18-10(11)2)17-9-15-19-12-6-4-5-7-13(12)20-15/h4-8,17H,3,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKey
LLLZHKVKPADXOE-UHFFFAOYSA-N
Compound name
3-(1H-benzimidazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

282.14807 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15535 166.0
[M+Na]+ 305.13729 176.3
[M-H]- 281.14079 168.2
[M+NH4]+ 300.18189 179.5
[M+K]+ 321.11123 168.7
[M+H-H2O]+ 265.14533 157.1
[M+HCOO]- 327.14627 186.1
[M+CH3COO]- 341.16192 176.9
[M+Na-2H]- 303.12274 171.0
[M]+ 282.14752 166.3
[M]- 282.14862 166.3
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.