CID 57416877

1257651-22-1

Structural Information

Molecular Formula
C17H20BNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)C=NC3=CC=CC=C3
InChI
InChI=1S/C17H20BNO2S/c1-16(2)17(3,4)21-18(20-16)15-11-10-14(22-15)12-19-13-8-6-5-7-9-13/h5-12H,1-4H3
InChIKey
BYXNQKHPQNAKEZ-UHFFFAOYSA-N
Compound name
N-phenyl-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.13077 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13805 169.4
[M+Na]+ 336.11999 181.5
[M+NH4]+ 331.16459 181.2
[M+K]+ 352.09393 172.6
[M-H]- 312.12349 178.1
[M+Na-2H]- 334.10544 179.1
[M]+ 313.13022 174.6
[M]- 313.13132 174.6
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

No patent data available for this compound.