CID 6482677

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

Structural Information

Molecular Formula
C18H16N4O
SMILES
C1=CC=C(C=C1)CNC2=NC(=CN=C2)C3=CC=C(C=C3)C(=O)N
InChI
InChI=1S/C18H16N4O/c19-18(23)15-8-6-14(7-9-15)16-11-20-12-17(22-16)21-10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H2,19,23)(H,21,22)
InChIKey
UKKAEZSCZKLGOO-UHFFFAOYSA-N
Compound name
4-[6-(benzylamino)pyrazin-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

304.13242 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13970 170.9
[M+Na]+ 327.12164 177.1
[M-H]- 303.12514 177.4
[M+NH4]+ 322.16624 181.4
[M+K]+ 343.09558 171.1
[M+H-H2O]+ 287.12968 159.9
[M+HCOO]- 349.13062 193.3
[M+CH3COO]- 363.14627 180.9
[M+Na-2H]- 325.10709 177.1
[M]+ 304.13187 168.2
[M]- 304.13297 168.2
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