CID 3011124

Chembl4643922

Structural Information

Molecular Formula
C20H14BrN3O
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)Br
InChI
InChI=1S/C20H14BrN3O/c21-15-9-5-14(6-10-15)20(25)22-16-11-7-13(8-12-16)19-23-17-3-1-2-4-18(17)24-19/h1-12H,(H,22,25)(H,23,24)
InChIKey
DYLDUUQPDPOLLA-UHFFFAOYSA-N
Compound name
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

391.032 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.03928 183.9
[M+Na]+ 414.02122 194.9
[M-H]- 390.02472 193.6
[M+NH4]+ 409.06582 197.9
[M+K]+ 429.99516 180.8
[M+H-H2O]+ 374.02926 181.1
[M+HCOO]- 436.03020 203.3
[M+CH3COO]- 450.04585 195.8
[M+Na-2H]- 412.00667 189.8
[M]+ 391.03145 201.7
[M]- 391.03255 201.7
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.