CID 504456

Schembl14499366

Structural Information

Molecular Formula
C18H22N2O4
SMILES
CCOC1=NC2=C(O1)C=C(C=C2)OCCCCCC3=CC(=NO3)C
InChI
InChI=1S/C18H22N2O4/c1-3-21-18-19-16-9-8-14(12-17(16)23-18)22-10-6-4-5-7-15-11-13(2)20-24-15/h8-9,11-12H,3-7,10H2,1-2H3
InChIKey
WVUDGMMEEOCLPF-UHFFFAOYSA-N
Compound name
2-ethoxy-6-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

330.15796 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.16524 176.9
[M+Na]+ 353.14718 186.4
[M-H]- 329.15068 183.8
[M+NH4]+ 348.19178 190.4
[M+K]+ 369.12112 185.2
[M+H-H2O]+ 313.15522 169.0
[M+HCOO]- 375.15616 198.9
[M+CH3COO]- 389.17181 208.4
[M+Na-2H]- 351.13263 180.1
[M]+ 330.15741 188.1
[M]- 330.15851 188.1
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