CID 155822978

Tert-butyl n-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl)carbamate

Structural Information

Molecular Formula
C15H24BNO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H24BNO4S/c1-13(2,3)19-12(18)17-11-9-8-10(22-11)16-20-14(4,5)15(6,7)21-16/h8-9H,1-7H3,(H,17,18)
InChIKey
WYSBPZBLASTKER-UHFFFAOYSA-N
Compound name
tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.15192 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.15920 170.9
[M+Na]+ 348.14114 178.7
[M-H]- 324.14464 179.5
[M+NH4]+ 343.18574 191.0
[M+K]+ 364.11508 179.7
[M+H-H2O]+ 308.14918 168.9
[M+HCOO]- 370.15012 186.2
[M+CH3COO]- 384.16577 206.5
[M+Na-2H]- 346.12659 173.4
[M]+ 325.15137 178.1
[M]- 325.15247 178.1
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

No patent data available for this compound.