CID 45051493

853407-19-9

Structural Information

Molecular Formula
C13H10N4O3
SMILES
CC1=NC2=C(N1)C=C(C=C2)N=CC3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C13H10N4O3/c1-8-15-11-4-2-9(6-12(11)16-8)14-7-10-3-5-13(20-10)17(18)19/h2-7H,1H3,(H,15,16)
InChIKey
KLKKNQXKWUZIPD-UHFFFAOYSA-N
Compound name
N-(2-methyl-3H-benzimidazol-5-yl)-1-(5-nitrofuran-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0753 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08258 156.9
[M+Na]+ 293.06452 166.0
[M-H]- 269.06802 164.2
[M+NH4]+ 288.10912 172.7
[M+K]+ 309.03846 159.0
[M+H-H2O]+ 253.07256 153.5
[M+HCOO]- 315.07350 183.1
[M+CH3COO]- 329.08915 192.2
[M+Na-2H]- 291.04997 165.2
[M]+ 270.07475 158.6
[M]- 270.07585 158.6
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.