CID 45051489

853407-15-5

Structural Information

Molecular Formula
C18H14N4O4
SMILES
CC1=CC=C(O1)C2=NC3=C(N2C)C=CC(=C3)N=CC4=CC=C(O4)[N+](=O)[O-]
InChI
InChI=1S/C18H14N4O4/c1-11-3-7-16(25-11)18-20-14-9-12(4-6-15(14)21(18)2)19-10-13-5-8-17(26-13)22(23)24/h3-10H,1-2H3
InChIKey
SOINSVKVSYWABD-UHFFFAOYSA-N
Compound name
N-[1-methyl-2-(5-methylfuran-2-yl)benzimidazol-5-yl]-1-(5-nitrofuran-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1015 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.10878 180.3
[M+Na]+ 373.09072 190.7
[M-H]- 349.09422 193.9
[M+NH4]+ 368.13532 193.9
[M+K]+ 389.06466 184.9
[M+H-H2O]+ 333.09876 177.3
[M+HCOO]- 395.09970 208.5
[M+CH3COO]- 409.11535 210.7
[M+Na-2H]- 371.07617 185.7
[M]+ 350.10095 187.7
[M]- 350.10205 187.7
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.