CID 57416877

Phenyl-[5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-thiophen-2-ylmethylene]-amine

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 168.7
[M+Na]+ 336.11999 178.5
[M-H]- 312.12349 182.2
[M+NH4]+ 331.16459 189.8
[M+K]+ 352.09393 177.2
[M+H-H2O]+ 296.12803 164.1
[M+HCOO]- 358.12897 188.9
[M+CH3COO]- 372.14462 182.6
[M+Na-2H]- 334.10544 171.0
[M]+ 313.13022 174.5
[M]- 313.13132 174.5
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.