CID 516136

Chembl322743

Structural Information

Molecular Formula
C18H23N5O3
SMILES
CC1=CC(=CC(=C1OCCCC2=CC(=NO2)CCO)C)C3=NN(N=N3)C
InChI
InChI=1S/C18H23N5O3/c1-12-9-14(18-19-22-23(3)20-18)10-13(2)17(12)25-8-4-5-16-11-15(6-7-24)21-26-16/h9-11,24H,4-8H2,1-3H3
InChIKey
ZMOQHVOARGFUOE-UHFFFAOYSA-N
Compound name
2-[5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,2-oxazol-3-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.18008 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.18736 184.8
[M+Na]+ 380.16930 195.3
[M-H]- 356.17280 189.1
[M+NH4]+ 375.21390 192.9
[M+K]+ 396.14324 191.0
[M+H-H2O]+ 340.17734 174.2
[M+HCOO]- 402.17828 203.3
[M+CH3COO]- 416.19393 212.9
[M+Na-2H]- 378.15475 184.2
[M]+ 357.17953 192.9
[M]- 357.18063 192.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.