CID 49857

2,6-bis(acetylaminomethyl)pyridine

Structural Information

Molecular Formula
C11H15N3O2
SMILES
CC(=O)NCC1=NC(=CC=C1)CNC(=O)C
InChI
InChI=1S/C11H15N3O2/c1-8(15)12-6-10-4-3-5-11(14-10)7-13-9(2)16/h3-5H,6-7H2,1-2H3,(H,12,15)(H,13,16)
InChIKey
VRMDOQCXSBSMJU-UHFFFAOYSA-N
Compound name
N-[[6-(acetamidomethyl)-2-pyridinyl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1
Patents

221.11642 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.123696 150.4
[M+Na]+ 244.105638 156.2
[M-H]- 220.109144 152.6
[M+NH4]+ 239.150243 166.8
[M+K]+ 260.079578 154.5
[M+H-H2O]+ 204.113680 142.7
[M+HCOO]- 266.114621 173.9
[M+CH3COO]- 280.130271 193.7
[M+Na-2H]- 242.091086 155.1
[M]+ 221.11587142 150.4
[M]- 221.11696858 150.4
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

patents stripe