CID 6482672

Schembl5003123

Structural Information

Molecular Formula
C17H13N3O2
SMILES
C1=CC=C2C(=C1)C=C(O2)C3=NC=CN=C3NCC4=CC=CO4
InChI
InChI=1S/C17H13N3O2/c1-2-6-14-12(4-1)10-15(22-14)16-17(19-8-7-18-16)20-11-13-5-3-9-21-13/h1-10H,11H2,(H,19,20)
InChIKey
WPUFNAKQSARMHC-UHFFFAOYSA-N
Compound name
3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)pyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

291.10077 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10805 162.3
[M+Na]+ 314.08999 172.3
[M-H]- 290.09349 172.8
[M+NH4]+ 309.13459 176.4
[M+K]+ 330.06393 169.5
[M+H-H2O]+ 274.09803 153.8
[M+HCOO]- 336.09897 186.7
[M+CH3COO]- 350.11462 175.5
[M+Na-2H]- 312.07544 169.2
[M]+ 291.10022 166.9
[M]- 291.10132 166.9
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.