CID 3007745

Chembl165540

Structural Information

Molecular Formula
C18H22N2O2
SMILES
C1COC(=N1)C2=CC=C(C=C2)OCCCCCN3C=CC=C3
InChI
InChI=1S/C18H22N2O2/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/h3-4,6-9,12-13H,1-2,5,10-11,14-15H2
InChIKey
CZYHIVVIUUARLZ-UHFFFAOYSA-N
Compound name
2-[4-(5-pyrrol-1-ylpentoxy)phenyl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.16812 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 169.8
[M+Na]+ 321.15734 175.5
[M-H]- 297.16084 176.9
[M+NH4]+ 316.20194 183.8
[M+K]+ 337.13128 172.7
[M+H-H2O]+ 281.16538 160.3
[M+HCOO]- 343.16632 191.1
[M+CH3COO]- 357.18197 180.8
[M+Na-2H]- 319.14279 171.3
[M]+ 298.16757 172.6
[M]- 298.16867 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.