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-methyl-2-pyridinyl)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]+ 281.139696 170.8
[M+Na]+ 303.121638 179.3
[M-H]- 279.125144 174.2
[M+NH4]+ 298.166243 182.7
[M+K]+ 319.095578 173.9
[M+H-H2O]+ 263.129680 155.4
[M+HCOO]- 325.130621 189.8
[M+CH3COO]- 339.146271 215.8
[M+Na-2H]- 301.107086 173.1
[M]+ 280.13187142 164.2
[M]- 280.13296858 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.