CID 5272759

126311-40-8

Structural Information

Molecular Formula
C23H25NO3
SMILES
CC1=NOC(=C1)CCCCCCCOC2=CC3=C(C=C2)C4=CC=CC=C4O3
InChI
InChI=1S/C23H25NO3/c1-17-15-19(27-24-17)9-5-3-2-4-8-14-25-18-12-13-21-20-10-6-7-11-22(20)26-23(21)16-18/h6-7,10-13,15-16H,2-5,8-9,14H2,1H3
InChIKey
ALJQTEOQAHDGRG-UHFFFAOYSA-N
Compound name
5-(7-dibenzofuran-3-yloxyheptyl)-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.18344 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.19072 188.6
[M+Na]+ 386.17266 198.6
[M-H]- 362.17616 197.8
[M+NH4]+ 381.21726 203.1
[M+K]+ 402.14660 195.0
[M+H-H2O]+ 346.18070 181.0
[M+HCOO]- 408.18164 211.1
[M+CH3COO]- 422.19729 200.6
[M+Na-2H]- 384.15811 192.4
[M]+ 363.18289 199.6
[M]- 363.18399 199.6
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.