CID 472061

Chembl284933

Structural Information

Molecular Formula
C20H20N4O
SMILES
CN=C(C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)C(=NC)N)N
InChI
InChI=1S/C20H20N4O/c1-23-19(21)15-7-3-13(4-8-15)17-11-12-18(25-17)14-5-9-16(10-6-14)20(22)24-2/h3-12H,1-2H3,(H2,21,23)(H2,22,24)
InChIKey
PJXXOTMPTCSMBW-UHFFFAOYSA-N
Compound name
N'-methyl-4-[5-[4-(N'-methylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

332.1637 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.17098 183.0
[M+Na]+ 355.15292 188.5
[M-H]- 331.15642 195.5
[M+NH4]+ 350.19752 196.5
[M+K]+ 371.12686 185.2
[M+H-H2O]+ 315.16096 173.2
[M+HCOO]- 377.16190 210.8
[M+CH3COO]- 391.17755 224.2
[M+Na-2H]- 353.13837 184.4
[M]+ 332.16315 181.8
[M]- 332.16425 181.8
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.