CID 3059930

1,2-diacetamido-1,2-di-4-pyridylethane

Structural Information

Molecular Formula
C16H18N4O2
SMILES
CC(=O)NC(C1=CC=NC=C1)C(C2=CC=NC=C2)NC(=O)C
InChI
InChI=1S/C16H18N4O2/c1-11(21)19-15(13-3-7-17-8-4-13)16(20-12(2)22)14-5-9-18-10-6-14/h3-10,15-16H,1-2H3,(H,19,21)(H,20,22)
InChIKey
UYNXOWYIHIMWSK-UHFFFAOYSA-N
Compound name
N-(2-acetamido-1,2-dipyridin-4-ylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.14297 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.150246 170.0
[M+Na]+ 321.132188 173.3
[M-H]- 297.135694 173.5
[M+NH4]+ 316.176793 180.8
[M+K]+ 337.106128 170.6
[M+H-H2O]+ 281.140230 159.9
[M+HCOO]- 343.141171 190.0
[M+CH3COO]- 357.156821 208.0
[M+Na-2H]- 319.117636 173.7
[M]+ 298.14242142 168.2
[M]- 298.14351858 168.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.