CID 485877

Schembl6750104

Structural Information

Molecular Formula
C20H20N4O
SMILES
CC1=C(OC(=C1C2=CC=C(C=C2)C(=N)N)C)C3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C20H20N4O/c1-11-17(13-3-7-15(8-4-13)19(21)22)12(2)25-18(11)14-5-9-16(10-6-14)20(23)24/h3-10H,1-2H3,(H3,21,22)(H3,23,24)
InChIKey
CMRUZWCPUQKDDF-UHFFFAOYSA-N
Compound name
4-[5-(4-carbamimidoylphenyl)-2,4-dimethylfuran-3-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

332.1637 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.17098 183.8
[M+Na]+ 355.15292 190.1
[M-H]- 331.15642 194.4
[M+NH4]+ 350.19752 196.3
[M+K]+ 371.12686 185.4
[M+H-H2O]+ 315.16096 175.0
[M+HCOO]- 377.16190 208.5
[M+CH3COO]- 391.17755 223.7
[M+Na-2H]- 353.13837 182.9
[M]+ 332.16315 180.1
[M]- 332.16425 180.1
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.