CID 5471213

Nsc709475

Structural Information

Molecular Formula
C22H15ClN2O3
SMILES
C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)Cl)C(=O)/C=C/C4=CC=CO4
InChI
InChI=1S/C22H15ClN2O3/c23-16-9-7-15(8-10-16)21(27)14-25-19-6-2-1-5-18(19)24-22(25)20(26)12-11-17-4-3-13-28-17/h1-13H,14H2/b12-11+
InChIKey
HBMIPQUAAYBAAT-VAWYXSNFSA-N
Compound name
(E)-1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]-3-(furan-2-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.07712 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.08440 193.1
[M+Na]+ 413.06634 203.0
[M-H]- 389.06984 202.7
[M+NH4]+ 408.11094 205.3
[M+K]+ 429.04028 196.7
[M+H-H2O]+ 373.07438 184.1
[M+HCOO]- 435.07532 209.5
[M+CH3COO]- 449.09097 203.9
[M+Na-2H]- 411.05179 192.5
[M]+ 390.07657 199.9
[M]- 390.07767 199.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.