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]+ 372.203016 188.7
[M+Na]+ 394.184958 199.3
[M-H]- 370.188464 194.1
[M+NH4]+ 389.229563 196.9
[M+K]+ 410.158898 195.6
[M+H-H2O]+ 354.193000 177.6
[M+HCOO]- 416.193941 208.4
[M+CH3COO]- 430.209591 218.0
[M+Na-2H]- 392.170406 188.0
[M]+ 371.19519142 198.9
[M]- 371.19628858 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.