CID 45051491

N-(1-(4-iodophenyl)-1h-benzimidazol-5-yl)-n-((5-nitro-2-furyl)methylidene)amine

Structural Information

Molecular Formula
C18H11IN4O3
SMILES
C1=CC(=CC=C1N2C=NC3=C2C=CC(=C3)N=CC4=CC=C(O4)[N+](=O)[O-])I
InChI
InChI=1S/C18H11IN4O3/c19-12-1-4-14(5-2-12)22-11-21-16-9-13(3-7-17(16)22)20-10-15-6-8-18(26-15)23(24)25/h1-11H
InChIKey
RIWVZZDMKVVULJ-UHFFFAOYSA-N
Compound name
N-[1-(4-iodophenyl)benzimidazol-5-yl]-1-(5-nitrofuran-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.98758 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.99486 189.3
[M+Na]+ 480.97680 190.9
[M-H]- 456.98030 193.1
[M+NH4]+ 476.02140 197.2
[M+K]+ 496.95074 188.7
[M+H-H2O]+ 440.98484 180.2
[M+HCOO]- 502.98578 210.4
[M+CH3COO]- 517.00143 216.5
[M+Na-2H]- 478.96225 184.4
[M]+ 457.98703 189.1
[M]- 457.98813 189.1
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.