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]+ 326.132156 173.5
[M+Na]+ 348.114098 182.7
[M-H]- 324.117604 182.9
[M+NH4]+ 343.158703 185.9
[M+K]+ 364.088038 177.4
[M+H-H2O]+ 308.122140 165.1
[M+HCOO]- 370.123081 187.8
[M+CH3COO]- 384.138731 184.4
[M+Na-2H]- 346.099546 171.2
[M]+ 325.12433142 173.4
[M]- 325.12542858 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