CID 45051494

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

Structural Information

Molecular Formula
C18H11ClN4O3
SMILES
C1=CC(=CC=C1N2C=NC3=C2C=CC(=C3)N=CC4=CC=C(O4)[N+](=O)[O-])Cl
InChI
InChI=1S/C18H11ClN4O3/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
RNVJPLKRWLUIOG-UHFFFAOYSA-N
Compound name
N-[1-(4-chlorophenyl)benzimidazol-5-yl]-1-(5-nitrofuran-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.05197 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.05925 185.4
[M+Na]+ 389.04119 194.8
[M-H]- 365.04469 196.5
[M+NH4]+ 384.08579 198.1
[M+K]+ 405.01513 185.8
[M+H-H2O]+ 349.04923 180.4
[M+HCOO]- 411.05017 207.4
[M+CH3COO]- 425.06582 210.6
[M+Na-2H]- 387.02664 191.5
[M]+ 366.05142 190.4
[M]- 366.05252 190.4
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.