CID 465419

5-cyano-3-(cycloheptylamino)pyrazine-2-carboxamide

Structural Information

Molecular Formula
C13H17N5O
SMILES
C1CCCC(CC1)NC2=NC(=CN=C2C(=O)N)C#N
InChI
InChI=1S/C13H17N5O/c14-7-10-8-16-11(12(15)19)13(18-10)17-9-5-3-1-2-4-6-9/h8-9H,1-6H2,(H2,15,19)(H,17,18)
InChIKey
USEVIZYYUBSJHH-UHFFFAOYSA-N
Compound name
5-cyano-3-(cycloheptylamino)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1433 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.15058 159.5
[M+Na]+ 282.13252 164.1
[M-H]- 258.13602 161.9
[M+NH4]+ 277.17712 169.7
[M+K]+ 298.10646 165.0
[M+H-H2O]+ 242.14056 143.2
[M+HCOO]- 304.14150 173.9
[M+CH3COO]- 318.15715 211.0
[M+Na-2H]- 280.11797 161.5
[M]+ 259.14275 146.4
[M]- 259.14385 146.4
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.