CID 214820

34329-69-6

Structural Information

Molecular Formula
C14H16N4O3
SMILES
C1=CC(=C[N+](=C1)COC[N+]2=CC=CC(=C2)C(=O)N)C(=O)N
InChI
InChI=1S/C14H14N4O3/c15-13(19)11-3-1-5-17(7-11)9-21-10-18-6-2-4-12(8-18)14(16)20/h1-8H,9-10H2,(H2-2,15,16,19,20)/p+2
InChIKey
HSKUMZIFTVBDLU-UHFFFAOYSA-P
Compound name
1-[(3-carbamoylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

288.12225 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12953 161.2
[M+Na]+ 311.11147 176.1
[M+NH4]+ 306.15607 168.5
[M+K]+ 327.08541 172.9
[M-H]- 287.11497 166.9
[M+Na-2H]- 309.09692 169.7
[M]+ 288.12170 165.2
[M]- 288.12280 165.2
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

patents stripe