CID 3007746

Chembl168783

Structural Information

Molecular Formula
C18H26N2O2
SMILES
C1CCN(C1)CCCCCOC2=CC=C(C=C2)C3=NCCO3
InChI
InChI=1S/C18H26N2O2/c1(2-11-20-12-3-4-13-20)5-14-21-17-8-6-16(7-9-17)18-19-10-15-22-18/h6-9H,1-5,10-15H2
InChIKey
JPACMJTWPJXOOX-UHFFFAOYSA-N
Compound name
2-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.19943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.20671 172.7
[M+Na]+ 325.18865 176.3
[M-H]- 301.19215 179.0
[M+NH4]+ 320.23325 186.4
[M+K]+ 341.16259 173.9
[M+H-H2O]+ 285.19669 163.1
[M+HCOO]- 347.19763 191.2
[M+CH3COO]- 361.21328 201.4
[M+Na-2H]- 323.17410 172.2
[M]+ 302.19888 172.6
[M]- 302.19998 172.6
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.