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]+ 275.150246 161.0
[M+Na]+ 297.132188 168.3
[M-H]- 273.135694 160.3
[M+NH4]+ 292.176793 170.6
[M+K]+ 313.106128 163.8
[M+H-H2O]+ 257.140230 144.9
[M+HCOO]- 319.141171 172.0
[M+CH3COO]- 333.156821 207.5
[M+Na-2H]- 295.117636 162.3
[M]+ 274.14242142 152.8
[M]- 274.14351858 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