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]+ 356.20812 186.3
[M+Na]+ 378.19006 196.9
[M-H]- 354.19356 191.9
[M+NH4]+ 373.23466 195.2
[M+K]+ 394.16400 193.0
[M+H-H2O]+ 338.19810 175.6
[M+HCOO]- 400.19904 204.9
[M+CH3COO]- 414.21469 216.9
[M+Na-2H]- 376.17551 184.5
[M]+ 355.20029 194.7
[M]- 355.20139 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.