CID 2795497

4-methyl-2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

Structural Information

Molecular Formula
C16H20BNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(S2)C3=CC=CC=C3)C
InChI
InChI=1S/C16H20BNO2S/c1-11-13(17-19-15(2,3)16(4,5)20-17)21-14(18-11)12-9-7-6-8-10-12/h6-10H,1-5H3
InChIKey
QJROOQWDMKQWEZ-UHFFFAOYSA-N
Compound name
4-methyl-2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

301.13077 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13805 163.0
[M+Na]+ 324.11999 174.2
[M-H]- 300.12349 174.4
[M+NH4]+ 319.16459 183.3
[M+K]+ 340.09393 173.0
[M+H-H2O]+ 284.12803 158.6
[M+HCOO]- 346.12897 179.7
[M+CH3COO]- 360.14462 177.0
[M+Na-2H]- 322.10544 163.9
[M]+ 301.13022 169.1
[M]- 301.13132 169.1
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