CID 5272765

Schembl9804050

Structural Information

Molecular Formula
C18H23N3O2
SMILES
CC1=NOC(=C1)CCCCCCCOC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C18H23N3O2/c1-14-13-15(23-21-14)9-5-3-2-4-8-12-22-18-19-16-10-6-7-11-17(16)20-18/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,19,20)
InChIKey
QWXNIFGMKSNELK-UHFFFAOYSA-N
Compound name
5-[7-(1H-benzimidazol-2-yloxy)heptyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

313.17902 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18630 174.4
[M+Na]+ 336.16824 182.7
[M-H]- 312.17174 177.6
[M+NH4]+ 331.21284 187.7
[M+K]+ 352.14218 178.4
[M+H-H2O]+ 296.17628 165.2
[M+HCOO]- 358.17722 194.2
[M+CH3COO]- 372.19287 185.1
[M+Na-2H]- 334.15369 177.1
[M]+ 313.17847 180.5
[M]- 313.17957 180.5
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

patents stripe