CID 134128679

N-[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-propanesultam

Structural Information

Molecular Formula
C15H22BNO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2N3CCCS3(=O)=O
InChI
InChI=1S/C15H22BNO4S/c1-14(2)15(3,4)21-16(20-14)12-8-5-6-9-13(12)17-10-7-11-22(17,18)19/h5-6,8-9H,7,10-11H2,1-4H3
InChIKey
MLZBNILDZLPZDB-UHFFFAOYSA-N
Compound name
2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2-thiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.13626 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14354 163.3
[M+Na]+ 346.12548 173.7
[M-H]- 322.12898 174.1
[M+NH4]+ 341.17008 184.1
[M+K]+ 362.09942 173.4
[M+H-H2O]+ 306.13352 160.0
[M+HCOO]- 368.13446 178.1
[M+CH3COO]- 382.15011 176.7
[M+Na-2H]- 344.11093 165.4
[M]+ 323.13571 168.3
[M]- 323.13681 168.3
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.