CID 10221335

N-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-4-cyanobenzamide

Structural Information

Molecular Formula
C16H16N4O
SMILES
CC1=CC(=NC(=C1)N)CCNC(=O)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C16H16N4O/c1-11-8-14(20-15(18)9-11)6-7-19-16(21)13-4-2-12(10-17)3-5-13/h2-5,8-9H,6-7H2,1H3,(H2,18,20)(H,19,21)
InChIKey
QINCZVSBLITNRD-UHFFFAOYSA-N
Compound name
N-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-4-cyanobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.13242 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13970 170.8
[M+Na]+ 303.12164 179.3
[M-H]- 279.12514 174.2
[M+NH4]+ 298.16624 182.7
[M+K]+ 319.09558 173.9
[M+H-H2O]+ 263.12968 155.4
[M+HCOO]- 325.13062 189.8
[M+CH3COO]- 339.14627 215.8
[M+Na-2H]- 301.10709 173.1
[M]+ 280.13187 164.2
[M]- 280.13297 164.2
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.