CID 45051492

1-(4-bromophenyl)-n-((5-nitro-2-furyl)methylidene)-1h-benzimidazol-5-amine

Structural Information

Molecular Formula
C18H11BrN4O3
SMILES
C1=CC(=CC=C1N2C=NC3=C2C=CC(=C3)N=CC4=CC=C(O4)[N+](=O)[O-])Br
InChI
InChI=1S/C18H11BrN4O3/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
MLZXMEPRDSZRFE-UHFFFAOYSA-N
Compound name
N-[1-(4-bromophenyl)benzimidazol-5-yl]-1-(5-nitrofuran-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.00146 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.00874 188.9
[M+Na]+ 432.99068 200.1
[M-H]- 408.99418 202.5
[M+NH4]+ 428.03528 203.1
[M+K]+ 448.96462 185.7
[M+H-H2O]+ 392.99872 189.9
[M+HCOO]- 454.99966 213.1
[M+CH3COO]- 469.01531 215.1
[M+Na-2H]- 430.97613 196.3
[M]+ 410.00091 210.5
[M]- 410.00201 210.5
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.