CID 5742963

Benzamide, n-[4-(1h-benzimidazol-2-yl)phenyl]-2-fluoro-5-nitro-

Structural Information

Molecular Formula
C20H13FN4O3
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])F
InChI
InChI=1S/C20H13FN4O3/c21-16-10-9-14(25(27)28)11-15(16)20(26)22-13-7-5-12(6-8-13)19-23-17-3-1-2-4-18(17)24-19/h1-11H,(H,22,26)(H,23,24)
InChIKey
MRLZVYLUESHXOL-UHFFFAOYSA-N
Compound name
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.09717 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10445 182.1
[M+Na]+ 399.08639 189.0
[M-H]- 375.08989 188.6
[M+NH4]+ 394.13099 191.5
[M+K]+ 415.06033 178.0
[M+H-H2O]+ 359.09443 175.3
[M+HCOO]- 421.09537 203.5
[M+CH3COO]- 435.11102 211.2
[M+Na-2H]- 397.07184 188.6
[M]+ 376.09662 179.2
[M]- 376.09772 179.2
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.