CID 29088

Ditazole

Structural Information

Molecular Formula
C19H20N2O3
SMILES
C1=CC=C(C=C1)C2=C(OC(=N2)N(CCO)CCO)C3=CC=CC=C3
InChI
InChI=1S/C19H20N2O3/c22-13-11-21(12-14-23)19-20-17(15-7-3-1-4-8-15)18(24-19)16-9-5-2-6-10-16/h1-10,22-23H,11-14H2
InChIKey
UUCMDZWCRNZCOY-UHFFFAOYSA-N
Compound name
2-[(4,5-diphenyl-1,3-oxazol-2-yl)-(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

7149
Patents

324.1474 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 175.9
[M+Na]+ 347.13662 181.5
[M-H]- 323.14012 183.7
[M+NH4]+ 342.18122 187.5
[M+K]+ 363.11056 178.2
[M+H-H2O]+ 307.14466 166.4
[M+HCOO]- 369.14560 197.6
[M+CH3COO]- 383.16125 207.2
[M+Na-2H]- 345.12207 179.2
[M]+ 324.14685 177.8
[M]- 324.14795 177.8
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

patents stripe