CID 60788

Lufironil

Structural Information

Molecular Formula
C13H19N3O4
SMILES
COCCNC(=O)C1=CC(=NC=C1)C(=O)NCCOC
InChI
InChI=1S/C13H19N3O4/c1-19-7-5-15-12(17)10-3-4-14-11(9-10)13(18)16-6-8-20-2/h3-4,9H,5-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKey
JUCNGMPTCXPMNB-UHFFFAOYSA-N
Compound name
2-N,4-N-bis(2-methoxyethyl)pyridine-2,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

551
Patents

281.13754 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14482 164.3
[M+Na]+ 304.12676 168.9
[M-H]- 280.13026 166.1
[M+NH4]+ 299.17136 178.0
[M+K]+ 320.10070 167.9
[M+H-H2O]+ 264.13480 155.7
[M+HCOO]- 326.13574 187.6
[M+CH3COO]- 340.15139 204.1
[M+Na-2H]- 302.11221 168.1
[M]+ 281.13699 167.9
[M]- 281.13809 167.9
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