CID 18525749

857283-68-2

Structural Information

Molecular Formula
C16H20BNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CSC(=N3)C
InChI
InChI=1S/C16H20BNO2S/c1-11-18-14(10-21-11)12-6-8-13(9-7-12)17-19-15(2,3)16(4,5)20-17/h6-10H,1-5H3
InChIKey
XCAUOIGPROQXRG-UHFFFAOYSA-N
Compound name
2-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

301.13077 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13805 164.9
[M+Na]+ 324.11999 178.1
[M+NH4]+ 319.16459 176.5
[M+K]+ 340.09393 170.0
[M-H]- 300.12349 172.5
[M+Na-2H]- 322.10544 173.9
[M]+ 301.13022 170.0
[M]- 301.13132 170.0
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