CID 355531

Nsc609356

Structural Information

Molecular Formula
C24H18N4O4
SMILES
CC(=O)ON1C2=CC=CC=C2N=C1C3=CC=CC=C3C4=NC5=CC=CC=C5N4OC(=O)C
InChI
InChI=1S/C24H18N4O4/c1-15(29)31-27-21-13-7-5-11-19(21)25-23(27)17-9-3-4-10-18(17)24-26-20-12-6-8-14-22(20)28(24)32-16(2)30/h3-14H,1-2H3
InChIKey
BNCYAPIJYVVECD-UHFFFAOYSA-N
Compound name
[2-[2-(1-acetyloxybenzimidazol-2-yl)phenyl]benzimidazol-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.1328 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.14008 201.2
[M+Na]+ 449.12202 212.1
[M-H]- 425.12552 210.0
[M+NH4]+ 444.16662 210.7
[M+K]+ 465.09596 206.4
[M+H-H2O]+ 409.13006 190.2
[M+HCOO]- 471.13100 220.5
[M+CH3COO]- 485.14665 211.2
[M+Na-2H]- 447.10747 202.0
[M]+ 426.13225 209.3
[M]- 426.13335 209.3
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.