CID 6482676

N-benzyl-6-(4-chlorophenyl)pyrazin-2-amine

Structural Information

Molecular Formula
C17H14ClN3
SMILES
C1=CC=C(C=C1)CNC2=NC(=CN=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H14ClN3/c18-15-8-6-14(7-9-15)16-11-19-12-17(21-16)20-10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,20,21)
InChIKey
YUTMIAWMJCMQMB-UHFFFAOYSA-N
Compound name
N-benzyl-6-(4-chlorophenyl)pyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

295.08762 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09490 167.0
[M+Na]+ 318.07684 175.4
[M-H]- 294.08034 173.5
[M+NH4]+ 313.12144 179.6
[M+K]+ 334.05078 167.7
[M+H-H2O]+ 278.08488 156.6
[M+HCOO]- 340.08582 185.2
[M+CH3COO]- 354.10147 177.9
[M+Na-2H]- 316.06229 174.6
[M]+ 295.08707 167.7
[M]- 295.08817 167.7
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.