CID 2758823

683274-44-4

Structural Information

Molecular Formula
C15H20N4O2
SMILES
CCOC(=O)C1=C(N=C(C(=C1)C#N)C)N2CCCNCC2
InChI
InChI=1S/C15H20N4O2/c1-3-21-15(20)13-9-12(10-16)11(2)18-14(13)19-7-4-5-17-6-8-19/h9,17H,3-8H2,1-2H3
InChIKey
MTXUJJPFBVQKLD-UHFFFAOYSA-N
Compound name
ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.15863 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16591 168.8
[M+Na]+ 311.14785 177.6
[M+NH4]+ 306.19245 170.6
[M+K]+ 327.12179 170.7
[M-H]- 287.15135 162.7
[M+Na-2H]- 309.13330 170.5
[M]+ 288.15808 167.3
[M]- 288.15918 167.3
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.