CID 5272756

Schembl9804162

Structural Information

Molecular Formula
C18H22N2O3
SMILES
CC1=NOC(=C1)CCCCCCCOC2=NC3=CC=CC=C3O2
InChI
InChI=1S/C18H22N2O3/c1-14-13-15(23-20-14)9-5-3-2-4-8-12-21-18-19-16-10-6-7-11-17(16)22-18/h6-7,10-11,13H,2-5,8-9,12H2,1H3
InChIKey
HPZINAJDHXHDRW-UHFFFAOYSA-N
Compound name
2-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

314.16306 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17034 173.8
[M+Na]+ 337.15228 182.6
[M-H]- 313.15578 180.3
[M+NH4]+ 332.19688 187.7
[M+K]+ 353.12622 180.8
[M+H-H2O]+ 297.16032 165.7
[M+HCOO]- 359.16126 195.6
[M+CH3COO]- 373.17691 205.1
[M+Na-2H]- 335.13773 177.6
[M]+ 314.16251 183.2
[M]- 314.16361 183.2
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