CID 78769

5089-22-5

Structural Information

Molecular Formula
C24H14N2O2
SMILES
C1=CC=C2C(=C1)C(=CC=C2C3=NC4=CC=CC=C4O3)C5=NC6=CC=CC=C6O5
InChI
InChI=1S/C24H14N2O2/c1-2-8-16-15(7-1)17(23-25-19-9-3-5-11-21(19)27-23)13-14-18(16)24-26-20-10-4-6-12-22(20)28-24/h1-14H
InChIKey
WFYSPVCBIJCZPX-UHFFFAOYSA-N
Compound name
2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

752
Patents

362.10553 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.11281 182.8
[M+Na]+ 385.09475 195.9
[M-H]- 361.09825 195.8
[M+NH4]+ 380.13935 196.2
[M+K]+ 401.06869 190.5
[M+H-H2O]+ 345.10279 173.6
[M+HCOO]- 407.10373 204.0
[M+CH3COO]- 421.11938 195.4
[M+Na-2H]- 383.08020 188.7
[M]+ 362.10498 189.4
[M]- 362.10608 189.4
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