CID 51064026

1070176-30-5

Structural Information

Molecular Formula
C18H19N3OS
SMILES
CC1=C(C(=NO1)C2=CC=CC=C2)C3=CSC(=N3)C4CCNCC4
InChI
InChI=1S/C18H19N3OS/c1-12-16(17(21-22-12)13-5-3-2-4-6-13)15-11-23-18(20-15)14-7-9-19-10-8-14/h2-6,11,14,19H,7-10H2,1H3
InChIKey
JGNQGLVOXXPGDJ-UHFFFAOYSA-N
Compound name
5-methyl-3-phenyl-4-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

325.12488 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13216 173.2
[M+Na]+ 348.11410 188.0
[M+NH4]+ 343.15870 181.7
[M+K]+ 364.08804 182.0
[M-H]- 324.11760 180.9
[M+Na-2H]- 346.09955 182.3
[M]+ 325.12433 178.1
[M]- 325.12543 178.1
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

patents stripe