CID 5478784

Chembl168157

Structural Information

Molecular Formula
C20H16N4O2
SMILES
C1=CC2=C(C=C1C(=N)N)OC(=C2)/C=C/C3=CC4=C(O3)C=CC(=C4)C(=N)N
InChI
InChI=1S/C20H16N4O2/c21-19(22)12-3-6-17-14(7-12)9-16(25-17)5-4-15-8-11-1-2-13(20(23)24)10-18(11)26-15/h1-10H,(H3,21,22)(H3,23,24)/b5-4+
InChIKey
RCEZZPPPWUYDBV-SNAWJCMRSA-N
Compound name
2-[(E)-2-(5-carbamimidoyl-1-benzofuran-2-yl)ethenyl]-1-benzofuran-6-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

344.12732 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13460 182.3
[M+Na]+ 367.11654 191.1
[M-H]- 343.12004 193.0
[M+NH4]+ 362.16114 196.9
[M+K]+ 383.09048 186.9
[M+H-H2O]+ 327.12458 175.4
[M+HCOO]- 389.12552 208.1
[M+CH3COO]- 403.14117 193.9
[M+Na-2H]- 365.10199 185.9
[M]+ 344.12677 183.6
[M]- 344.12787 183.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe