CID 6446335

4-methyl-alpha-((5-nitro-2-furanyl)methylene)-1h-benzimidazole-2-acetonitrile

Structural Information

Molecular Formula
C15H10N4O3
SMILES
CC1=C2C(=CC=C1)NC(=N2)/C(=C/C3=CC=C(O3)[N+](=O)[O-])/C#N
InChI
InChI=1S/C15H10N4O3/c1-9-3-2-4-12-14(9)18-15(17-12)10(8-16)7-11-5-6-13(22-11)19(20)21/h2-7H,1H3,(H,17,18)/b10-7+
InChIKey
MQFZWJTXPQRJEY-JXMROGBWSA-N
Compound name
(E)-2-(4-methyl-1H-benzimidazol-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0753 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08258 166.5
[M+Na]+ 317.06452 179.1
[M+NH4]+ 312.10912 169.5
[M+K]+ 333.03846 175.9
[M-H]- 293.06802 162.9
[M+Na-2H]- 315.04997 168.7
[M]+ 294.07475 166.2
[M]- 294.07585 166.2
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.