CID 3007936

2-[4-[5-(4-aminophenyl)-2-furyl]phenyl]-3h-benzimidazole-5-carboxamidine

Structural Information

Molecular Formula
C24H19N5O
SMILES
C1=CC(=CC=C1C2=CC=C(O2)C3=CC=C(C=C3)N)C4=NC5=C(N4)C=C(C=C5)C(=N)N
InChI
InChI=1S/C24H19N5O/c25-18-8-5-15(6-9-18)22-12-11-21(30-22)14-1-3-16(4-2-14)24-28-19-10-7-17(23(26)27)13-20(19)29-24/h1-13H,25H2,(H3,26,27)(H,28,29)
InChIKey
TURZAELFAFHIOW-UHFFFAOYSA-N
Compound name
2-[4-[5-(4-aminophenyl)furan-2-yl]phenyl]-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.15897 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.16625 190.8
[M+Na]+ 416.14819 199.1
[M-H]- 392.15169 202.5
[M+NH4]+ 411.19279 200.3
[M+K]+ 432.12213 191.8
[M+H-H2O]+ 376.15623 181.2
[M+HCOO]- 438.15717 213.2
[M+CH3COO]- 452.17282 200.6
[M+Na-2H]- 414.13364 192.3
[M]+ 393.15842 188.8
[M]- 393.15952 188.8
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.