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 161.0
[M+Na]+ 297.13219 168.3
[M-H]- 273.13569 160.3
[M+NH4]+ 292.17679 170.6
[M+K]+ 313.10613 163.8
[M+H-H2O]+ 257.14023 144.9
[M+HCOO]- 319.14117 172.0
[M+CH3COO]- 333.15682 207.5
[M+Na-2H]- 295.11764 162.3
[M]+ 274.14242 152.8
[M]- 274.14352 152.8
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

patents stripe