CID 9571669

Nsc641865

Structural Information

Molecular Formula
C14H20N4O2
SMILES
CCN(CC)C(=O)C/C(=N/NC(=O)C1=CC=NC=C1)/C
InChI
InChI=1S/C14H20N4O2/c1-4-18(5-2)13(19)10-11(3)16-17-14(20)12-6-8-15-9-7-12/h6-9H,4-5,10H2,1-3H3,(H,17,20)/b16-11+
InChIKey
RHVNVBUFFOQJLV-LFIBNONCSA-N
Compound name
N-[(E)-[4-(diethylamino)-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

276.15863 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16591 167.1
[M+Na]+ 299.14785 170.5
[M-H]- 275.15135 171.4
[M+NH4]+ 294.19245 181.8
[M+K]+ 315.12179 170.3
[M+H-H2O]+ 259.15589 157.9
[M+HCOO]- 321.15683 191.9
[M+CH3COO]- 335.17248 212.0
[M+Na-2H]- 297.13330 169.9
[M]+ 276.15808 168.8
[M]- 276.15918 168.8
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.