CID 516146

Chembl109840

Structural Information

Molecular Formula
C19H25N5O3
SMILES
CCCOC1=NOC(=C1)CCCOC2=C(C=C(C=C2C)C3=NN(N=N3)C)C
InChI
InChI=1S/C19H25N5O3/c1-5-8-25-17-12-16(27-22-17)7-6-9-26-18-13(2)10-15(11-14(18)3)19-20-23-24(4)21-19/h10-12H,5-9H2,1-4H3
InChIKey
ADVNCPOVTFGZTP-UHFFFAOYSA-N
Compound name
5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-3-propoxy-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.19574 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.20302 188.7
[M+Na]+ 394.18496 199.3
[M-H]- 370.18846 194.1
[M+NH4]+ 389.22956 196.9
[M+K]+ 410.15890 195.6
[M+H-H2O]+ 354.19300 177.6
[M+HCOO]- 416.19394 208.4
[M+CH3COO]- 430.20959 218.0
[M+Na-2H]- 392.17041 188.0
[M]+ 371.19519 198.9
[M]- 371.19629 198.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.