CID 45051486

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

Structural Information

Molecular Formula
C21H18N4O4
SMILES
CCOC1=CC=C(C=C1)N2C(=NC3=C2C=CC(=C3)N=CC4=CC=C(O4)[N+](=O)[O-])C
InChI
InChI=1S/C21H18N4O4/c1-3-28-17-7-5-16(6-8-17)24-14(2)23-19-12-15(4-10-20(19)24)22-13-18-9-11-21(29-18)25(26)27/h4-13H,3H2,1-2H3
InChIKey
GLTSUVZBVSNBET-UHFFFAOYSA-N
Compound name
N-[1-(4-ethoxyphenyl)-2-methylbenzimidazol-5-yl]-1-(5-nitrofuran-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.1328 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.14008 190.3
[M+Na]+ 413.12202 205.8
[M+NH4]+ 408.16662 197.0
[M+K]+ 429.09596 204.6
[M-H]- 389.12552 198.4
[M+Na-2H]- 411.10747 198.2
[M]+ 390.13225 194.8
[M]- 390.13335 194.8
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.