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 173.5
[M+Na]+ 348.11410 182.7
[M-H]- 324.11760 182.9
[M+NH4]+ 343.15870 185.9
[M+K]+ 364.08804 177.4
[M+H-H2O]+ 308.12214 165.1
[M+HCOO]- 370.12308 187.8
[M+CH3COO]- 384.13873 184.4
[M+Na-2H]- 346.09955 171.2
[M]+ 325.12433 173.4
[M]- 325.12543 173.4
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