CID 6482675

6-(4-chlorophenyl)-n-(2-furylmethyl)pyrazin-2-amine

Structural Information

Molecular Formula
C15H12ClN3O
SMILES
C1=COC(=C1)CNC2=NC(=CN=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H12ClN3O/c16-12-5-3-11(4-6-12)14-9-17-10-15(19-14)18-8-13-2-1-7-20-13/h1-7,9-10H,8H2,(H,18,19)
InChIKey
QPXXKJCGCLWOGE-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-N-(furan-2-ylmethyl)pyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

285.0669 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07418 163.4
[M+Na]+ 308.05612 172.7
[M-H]- 284.05962 171.2
[M+NH4]+ 303.10072 177.1
[M+K]+ 324.03006 167.4
[M+H-H2O]+ 268.06416 153.8
[M+HCOO]- 330.06510 182.4
[M+CH3COO]- 344.08075 175.5
[M+Na-2H]- 306.04157 169.5
[M]+ 285.06635 166.2
[M]- 285.06745 166.2
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