CID 516137

Chembl113046

Structural Information

Molecular Formula
C19H25N5O3
SMILES
CC1=CC(=CC(=C1OCCCC2=CC(=NO2)CCCO)C)C3=NN(N=N3)C
InChI
InChI=1S/C19H25N5O3/c1-13-10-15(19-20-23-24(3)21-19)11-14(2)18(13)26-9-5-7-17-12-16(22-27-17)6-4-8-25/h10-12,25H,4-9H2,1-3H3
InChIKey
XXXBDOMGFPYSGD-UHFFFAOYSA-N
Compound name
3-[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

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.20302 189.1
[M+Na]+ 394.18496 199.1
[M-H]- 370.18846 193.2
[M+NH4]+ 389.22956 196.6
[M+K]+ 410.15890 194.7
[M+H-H2O]+ 354.19300 178.2
[M+HCOO]- 416.19394 207.3
[M+CH3COO]- 430.20959 215.7
[M+Na-2H]- 392.17041 188.0
[M]+ 371.19519 197.5
[M]- 371.19629 197.5
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.