CID 473244

2-benzyloxy-5-[2-(5-nitro-1h-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazole

Structural Information

Molecular Formula
C22H15N5O4
SMILES
C1=CC=C(C=C1)COC2=NN=C(O2)C3=CC=CC=C3C4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C22H15N5O4/c28-27(29)15-10-11-18-19(12-15)24-20(23-18)16-8-4-5-9-17(16)21-25-26-22(31-21)30-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,23,24)
InChIKey
CSVVCORQJLISAN-UHFFFAOYSA-N
Compound name
2-[2-(6-nitro-1H-benzimidazol-2-yl)phenyl]-5-phenylmethoxy-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.1124 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.11968 191.5
[M+Na]+ 436.10162 198.6
[M-H]- 412.10512 201.1
[M+NH4]+ 431.14622 196.8
[M+K]+ 452.07556 189.0
[M+H-H2O]+ 396.10966 183.9
[M+HCOO]- 458.11060 211.1
[M+CH3COO]- 472.12625 214.7
[M+Na-2H]- 434.08707 197.5
[M]+ 413.11185 192.7
[M]- 413.11295 192.7
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.