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]+ 356.20812 186.4
[M+Na]+ 378.19006 197.2
[M-H]- 354.19356 191.7
[M+NH4]+ 373.23466 195.3
[M+K]+ 394.16400 192.8
[M+H-H2O]+ 338.19810 175.3
[M+HCOO]- 400.19904 205.9
[M+CH3COO]- 414.21469 216.0
[M+Na-2H]- 376.17551 185.5
[M]+ 355.20029 195.2
[M]- 355.20139 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.