CID 131745055

1628013-41-1

Structural Information

Molecular Formula
C15H24BNO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)[C@H](C)NS(=O)(=O)C
InChI
InChI=1S/C15H24BNO4S/c1-11(17-22(6,18)19)12-7-9-13(10-8-12)16-20-14(2,3)15(4,5)21-16/h7-11,17H,1-6H3/t11-/m0/s1
InChIKey
JOVVENXINXWUCB-NSHDSACASA-N
Compound name
N-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

325.15192 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.15920 168.9
[M+Na]+ 348.14114 176.8
[M-H]- 324.14464 177.3
[M+NH4]+ 343.18574 186.9
[M+K]+ 364.11508 177.0
[M+H-H2O]+ 308.14918 165.2
[M+HCOO]- 370.15012 183.6
[M+CH3COO]- 384.16577 207.7
[M+Na-2H]- 346.12659 173.2
[M]+ 325.15137 174.8
[M]- 325.15247 174.8
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