CID 3007937

4-[5-[4-[6-(4,5-dihydro-1h-imidazol-2-yl)-1h-benzimidazol-2-yl]phenyl]-2-furyl]aniline

Structural Information

Molecular Formula
C26H21N5O
SMILES
C1CN=C(N1)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)C5=CC=C(O5)C6=CC=C(C=C6)N
InChI
InChI=1S/C26H21N5O/c27-20-8-5-17(6-9-20)24-12-11-23(32-24)16-1-3-18(4-2-16)26-30-21-10-7-19(15-22(21)31-26)25-28-13-14-29-25/h1-12,15H,13-14,27H2,(H,28,29)(H,30,31)
InChIKey
FPZPLIHUAYTLEW-UHFFFAOYSA-N
Compound name
4-[5-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]furan-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.17462 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.18190 192.9
[M+Na]+ 442.16384 201.6
[M-H]- 418.16734 204.7
[M+NH4]+ 437.20844 200.3
[M+K]+ 458.13778 193.3
[M+H-H2O]+ 402.17188 182.8
[M+HCOO]- 464.17282 210.6
[M+CH3COO]- 478.18847 202.0
[M+Na-2H]- 440.14929 190.8
[M]+ 419.17407 191.3
[M]- 419.17517 191.3
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.