CID 516132

Chembl109635

Structural Information

Molecular Formula
C19H25N5O2
SMILES
CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C(C)C)C)C3=NN(N=N3)C
InChI
InChI=1S/C19H25N5O2/c1-12(2)17-11-16(26-22-17)7-6-8-25-18-13(3)9-15(10-14(18)4)19-20-23-24(5)21-19/h9-12H,6-8H2,1-5H3
InChIKey
XXJVHQRIIIJJMH-UHFFFAOYSA-N
Compound name
5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-3-propan-2-yl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.20084 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.208116 186.3
[M+Na]+ 378.190058 196.9
[M-H]- 354.193564 191.9
[M+NH4]+ 373.234663 195.2
[M+K]+ 394.163998 193.0
[M+H-H2O]+ 338.198100 175.6
[M+HCOO]- 400.199041 204.9
[M+CH3COO]- 414.214691 216.9
[M+Na-2H]- 376.175506 184.5
[M]+ 355.20029142 194.7
[M]- 355.20138858 194.7
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.