CID 516134

Chembl324459

Structural Information

Molecular Formula
C19H23N5O2
SMILES
CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C3CC3)C)C4=NN(N=N4)C
InChI
InChI=1S/C19H23N5O2/c1-12-9-15(19-20-23-24(3)21-19)10-13(2)18(12)25-8-4-5-16-11-17(22-26-16)14-6-7-14/h9-11,14H,4-8H2,1-3H3
InChIKey
FYRUZCAOVYQMAJ-UHFFFAOYSA-N
Compound name
3-cyclopropyl-5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.18518 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.19246 193.5
[M+Na]+ 376.17440 206.0
[M-H]- 352.17790 202.0
[M+NH4]+ 371.21900 197.9
[M+K]+ 392.14834 199.5
[M+H-H2O]+ 336.18244 182.9
[M+HCOO]- 398.18338 213.3
[M+CH3COO]- 412.19903 203.5
[M+Na-2H]- 374.15985 191.8
[M]+ 353.18463 202.6
[M]- 353.18573 202.6
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

No patent data available for this compound.