CID 6482674

4-[6-(propylamino)pyrazin-2-yl]benzamide

Structural Information

Molecular Formula
C14H16N4O
SMILES
CCCNC1=NC(=CN=C1)C2=CC=C(C=C2)C(=O)N
InChI
InChI=1S/C14H16N4O/c1-2-7-17-13-9-16-8-12(18-13)10-3-5-11(6-4-10)14(15)19/h3-6,8-9H,2,7H2,1H3,(H2,15,19)(H,17,18)
InChIKey
GYJRMIWVDGEFCY-UHFFFAOYSA-N
Compound name
4-[6-(propylamino)pyrazin-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

256.13242 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13970 159.5
[M+Na]+ 279.12164 166.2
[M-H]- 255.12514 163.1
[M+NH4]+ 274.16624 172.7
[M+K]+ 295.09558 161.8
[M+H-H2O]+ 239.12968 149.9
[M+HCOO]- 301.13062 182.1
[M+CH3COO]- 315.14627 201.1
[M+Na-2H]- 277.10709 165.0
[M]+ 256.13187 158.0
[M]- 256.13297 158.0
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