CID 516127

Chembl111060

Structural Information

Molecular Formula
C19H25N5O2
SMILES
CCCN1N=C(N=N1)C2=CC(=C(C(=C2)C)OCCCC3=CC(=NO3)C)C
InChI
InChI=1S/C19H25N5O2/c1-5-8-24-21-19(20-23-24)16-10-13(2)18(14(3)11-16)25-9-6-7-17-12-15(4)22-26-17/h10-12H,5-9H2,1-4H3
InChIKey
UXIQRTTZFTZURF-UHFFFAOYSA-N
Compound name
5-[3-[2,6-dimethyl-4-(2-propyltetrazol-5-yl)phenoxy]propyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.20084 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.208116 186.4
[M+Na]+ 378.190058 197.2
[M-H]- 354.193564 191.7
[M+NH4]+ 373.234663 195.3
[M+K]+ 394.163998 192.8
[M+H-H2O]+ 338.198100 175.3
[M+HCOO]- 400.199041 205.9
[M+CH3COO]- 414.214691 216.0
[M+Na-2H]- 376.175506 185.5
[M]+ 355.20029142 195.2
[M]- 355.20138858 195.2
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.