CID 516140

Chembl111730

Structural Information

Molecular Formula
C19H25N5O3
SMILES
CCC(C1=NOC(=C1)CCCOC2=C(C=C(C=C2C)C3=NN(N=N3)C)C)O
InChI
InChI=1S/C19H25N5O3/c1-5-17(25)16-11-15(27-22-16)7-6-8-26-18-12(2)9-14(10-13(18)3)19-20-23-24(4)21-19/h9-11,17,25H,5-8H2,1-4H3
InChIKey
YQGYBEZOIPYJAP-UHFFFAOYSA-N
Compound name
1-[5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,2-oxazol-3-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.19574 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.20302 189.2
[M+Na]+ 394.18496 198.9
[M-H]- 370.18846 193.6
[M+NH4]+ 389.22956 196.6
[M+K]+ 410.15890 195.0
[M+H-H2O]+ 354.19300 178.6
[M+HCOO]- 416.19394 206.4
[M+CH3COO]- 430.20959 216.6
[M+Na-2H]- 392.17041 187.1
[M]+ 371.19519 197.1
[M]- 371.19629 197.1
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.