CID 5478779

Chembl163770

Structural Information

Molecular Formula
C20H17N5O
SMILES
C1=CC2=C(C=C1C(=N)N)C=C(N2)/C=C/C3=CC4=C(O3)C=CC(=C4)C(=N)N
InChI
InChI=1S/C20H17N5O/c21-19(22)11-1-5-17-13(7-11)9-15(25-17)3-4-16-10-14-8-12(20(23)24)2-6-18(14)26-16/h1-10,25H,(H3,21,22)(H3,23,24)/b4-3+
InChIKey
MUWJHBWAGRUKSC-ONEGZZNKSA-N
Compound name
2-[(E)-2-(5-carbamimidoyl-1-benzofuran-2-yl)ethenyl]-1H-indole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

343.1433 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.15058 179.4
[M+Na]+ 366.13252 187.7
[M-H]- 342.13602 187.0
[M+NH4]+ 361.17712 193.4
[M+K]+ 382.10646 181.2
[M+H-H2O]+ 326.14056 171.9
[M+HCOO]- 388.14150 203.4
[M+CH3COO]- 402.15715 189.9
[M+Na-2H]- 364.11797 182.5
[M]+ 343.14275 177.5
[M]- 343.14385 177.5
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