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

12
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

literature stripe

Patent stripe

patents stripe