CID 3113972

2758-86-3

Structural Information

Molecular Formula
C14H14N4O2
SMILES
C1=CC=NC(=C1)CNC(=O)C(=O)NCC2=CC=CC=N2
InChI
InChI=1S/C14H14N4O2/c19-13(17-9-11-5-1-3-7-15-11)14(20)18-10-12-6-2-4-8-16-12/h1-8H,9-10H2,(H,17,19)(H,18,20)
InChIKey
LEOKXFSXIOEQEE-UHFFFAOYSA-N
Compound name
N,N'-bis(pyridin-2-ylmethyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5
Patents

270.11166 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11894 160.9
[M+Na]+ 293.10088 165.8
[M-H]- 269.10438 164.5
[M+NH4]+ 288.14548 173.1
[M+K]+ 309.07482 162.3
[M+H-H2O]+ 253.10892 150.9
[M+HCOO]- 315.10986 183.6
[M+CH3COO]- 329.12551 199.5
[M+Na-2H]- 291.08633 167.9
[M]+ 270.11111 159.5
[M]- 270.11221 159.5
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