CID 6435281

2-(6-(4-(aminoiminomethyl)phenyl)-1,3,5-hexatrienyl)-5-benzofurancarboximiamide

Structural Information

Molecular Formula
C22H20N4O
SMILES
C1=CC(=CC=C1/C=C/C=C/C=C/C2=CC3=C(O2)C=CC(=C3)C(=N)N)C(=N)N
InChI
InChI=1S/C22H20N4O/c23-21(24)16-9-7-15(8-10-16)5-3-1-2-4-6-19-14-18-13-17(22(25)26)11-12-20(18)27-19/h1-14H,(H3,23,24)(H3,25,26)/b2-1+,5-3+,6-4+
InChIKey
COGBMILTBQHUIU-CRQXNEITSA-N
Compound name
2-[(1E,3E,5E)-6-(4-carbamimidoylphenyl)hexa-1,3,5-trienyl]-1-benzofuran-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

356.1637 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.17098 189.5
[M+Na]+ 379.15292 195.2
[M-H]- 355.15642 196.9
[M+NH4]+ 374.19752 201.8
[M+K]+ 395.12686 188.1
[M+H-H2O]+ 339.16096 180.8
[M+HCOO]- 401.16190 214.0
[M+CH3COO]- 415.17755 224.5
[M+Na-2H]- 377.13837 190.7
[M]+ 356.16315 185.9
[M]- 356.16425 185.9
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

No patent data available for this compound.