CID 2795912

402479-97-4

Structural Information

Molecular Formula
C14H18N4O2
SMILES
CCOC(=O)C1=C(N=C(C(=C1)C#N)C)N2CCNCC2
InChI
InChI=1S/C14H18N4O2/c1-3-20-14(19)12-8-11(9-15)10(2)17-13(12)18-6-4-16-5-7-18/h8,16H,3-7H2,1-2H3
InChIKey
GJWLMJKBRLNVMS-UHFFFAOYSA-N
Compound name
ethyl 5-cyano-6-methyl-2-piperazin-1-ylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

274.14297 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15025 166.4
[M+Na]+ 297.13219 177.3
[M+NH4]+ 292.17679 168.7
[M+K]+ 313.10613 168.7
[M-H]- 273.13569 160.0
[M+Na-2H]- 295.11764 168.4
[M]+ 274.14242 165.1
[M]- 274.14352 165.1
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