CID 70182

905-62-4

Structural Information

Molecular Formula
C22H14N2O
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C22H14N2O/c1-3-11-17-15(7-1)9-5-13-19(17)21-23-24-22(25-21)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKey
MUNFOTHAFHGRIM-UHFFFAOYSA-N
Compound name
2,5-dinaphthalen-1-yl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4092
Patents

322.11063 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.11791 175.4
[M+Na]+ 345.09985 186.4
[M-H]- 321.10335 185.6
[M+NH4]+ 340.14445 188.7
[M+K]+ 361.07379 179.7
[M+H-H2O]+ 305.10789 164.7
[M+HCOO]- 367.10883 196.2
[M+CH3COO]- 381.12448 187.3
[M+Na-2H]- 343.08530 183.0
[M]+ 322.11008 178.0
[M]- 322.11118 178.0
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

patents stripe