CID 27567859

302552-88-1

Structural Information

Molecular Formula
C20H12BrN3O
SMILES
C1=CC=C2C(=C1)NC(=N2)/C(=C\C3=CC=C(O3)C4=CC=C(C=C4)Br)/C#N
InChI
InChI=1S/C20H12BrN3O/c21-15-7-5-13(6-8-15)19-10-9-16(25-19)11-14(12-22)20-23-17-3-1-2-4-18(17)24-20/h1-11H,(H,23,24)/b14-11-
InChIKey
JAGUUFWPKNAPSG-KAMYIIQDSA-N
Compound name
(Z)-2-(1H-benzimidazol-2-yl)-3-[5-(4-bromophenyl)furan-2-yl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.01636 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.02364 189.1
[M+Na]+ 412.00558 203.6
[M-H]- 388.00908 195.4
[M+NH4]+ 407.05018 202.0
[M+K]+ 427.97952 188.0
[M+H-H2O]+ 372.01362 179.9
[M+HCOO]- 434.01456 205.9
[M+CH3COO]- 448.03021 199.4
[M+Na-2H]- 409.99103 190.5
[M]+ 389.01581 201.4
[M]- 389.01691 201.4
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.