CID 439109

Chembl167087

Structural Information

Molecular Formula
C18H15N5O
SMILES
C1=CC2=C(C=C1C(=N)N)C=C(N2)C3=CC4=C(O3)C=CC(=C4)C(=N)N
InChI
InChI=1S/C18H15N5O/c19-17(20)9-1-3-13-11(5-9)7-14(23-13)16-8-12-6-10(18(21)22)2-4-15(12)24-16/h1-8,23H,(H3,19,20)(H3,21,22)
InChIKey
AYUIKKFPOJVFOV-UHFFFAOYSA-N
Compound name
2-(5-carbamimidoyl-1-benzofuran-2-yl)-1H-indole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

42
Patents

317.12766 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.13494 170.5
[M+Na]+ 340.11688 179.4
[M-H]- 316.12038 178.4
[M+NH4]+ 335.16148 185.7
[M+K]+ 356.09082 173.9
[M+H-H2O]+ 300.12492 163.3
[M+HCOO]- 362.12586 195.1
[M+CH3COO]- 376.14151 181.9
[M+Na-2H]- 338.10233 174.7
[M]+ 317.12711 168.8
[M]- 317.12821 168.8
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