CID 45051497

853407-22-4

Structural Information

Molecular Formula
C19H13ClN4O3
SMILES
CC1=NC2=C(N1C3=CC=C(C=C3)Cl)C=CC(=C2)N=CC4=CC=C(O4)[N+](=O)[O-]
InChI
InChI=1S/C19H13ClN4O3/c1-12-22-17-10-14(21-11-16-7-9-19(27-16)24(25)26)4-8-18(17)23(12)15-5-2-13(20)3-6-15/h2-11H,1H3
InChIKey
RCGUMRCHIMZRJG-UHFFFAOYSA-N
Compound name
N-[1-(4-chlorophenyl)-2-methylbenzimidazol-5-yl]-1-(5-nitrofuran-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.06763 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.07491 191.1
[M+Na]+ 403.05685 200.8
[M-H]- 379.06035 202.3
[M+NH4]+ 398.10145 203.5
[M+K]+ 419.03079 191.6
[M+H-H2O]+ 363.06489 186.0
[M+HCOO]- 425.06583 212.6
[M+CH3COO]- 439.08148 214.7
[M+Na-2H]- 401.04230 195.9
[M]+ 380.06708 196.8
[M]- 380.06818 196.8
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.