CID 5272782

1-(6-dibenzofuran-3-yloxyhexyl)-3,5-dimethyl-pyrazole

Structural Information

Molecular Formula
C23H26N2O2
SMILES
CC1=CC(=NN1CCCCCCOC2=CC3=C(C=C2)C4=CC=CC=C4O3)C
InChI
InChI=1S/C23H26N2O2/c1-17-15-18(2)25(24-17)13-7-3-4-8-14-26-19-11-12-21-20-9-5-6-10-22(20)27-23(21)16-19/h5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3
InChIKey
RQVXDPWXYIVRCM-UHFFFAOYSA-N
Compound name
1-(6-dibenzofuran-3-yloxyhexyl)-3,5-dimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.19943 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20671 190.1
[M+Na]+ 385.18865 200.8
[M-H]- 361.19215 197.6
[M+NH4]+ 380.23325 204.9
[M+K]+ 401.16259 195.4
[M+H-H2O]+ 345.19669 181.3
[M+HCOO]- 407.19763 212.0
[M+CH3COO]- 421.21328 201.7
[M+Na-2H]- 383.17410 192.4
[M]+ 362.19888 200.0
[M]- 362.19998 200.0
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.