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 192.5
[M+Na]+ 413.12202 200.7
[M-H]- 389.12552 204.2
[M+NH4]+ 408.16662 203.7
[M+K]+ 429.09596 193.0
[M+H-H2O]+ 373.13006 186.9
[M+HCOO]- 435.13100 218.5
[M+CH3COO]- 449.14665 219.1
[M+Na-2H]- 411.10747 197.7
[M]+ 390.13225 197.9
[M]- 390.13335 197.9
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.