CID 448137

A5he3qc9h5

Structural Information

Molecular Formula
C17H21N5O2
SMILES
CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)N3N=C(N=N3)C
InChI
InChI=1S/C17H21N5O2/c1-11-8-15(22-19-14(4)18-21-22)9-12(2)17(11)23-7-5-6-16-10-13(3)20-24-16/h8-10H,5-7H2,1-4H3
InChIKey
DRCNRTRGWUYJBH-UHFFFAOYSA-N
Compound name
5-[3-[2,6-dimethyl-4-(5-methyltetrazol-2-yl)phenoxy]propyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.16953 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.17681 177.6
[M+Na]+ 350.15875 189.4
[M-H]- 326.16225 183.3
[M+NH4]+ 345.20335 187.7
[M+K]+ 366.13269 185.4
[M+H-H2O]+ 310.16679 167.0
[M+HCOO]- 372.16773 197.8
[M+CH3COO]- 386.18338 189.1
[M+Na-2H]- 348.14420 177.8
[M]+ 327.16898 185.8
[M]- 327.17008 185.8
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.