CID 10224018

415697-56-2

Structural Information

Molecular Formula
C19H27BN2O6S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2S(=O)(=O)N(COC)C3=NOC(=C3C)C
InChI
InChI=1S/C19H27BN2O6S/c1-13-14(2)26-21-17(13)22(12-25-7)29(23,24)16-11-9-8-10-15(16)20-27-18(3,4)19(5,6)28-20/h8-11H,12H2,1-7H3
InChIKey
IJSCQWFSMOZUEJ-UHFFFAOYSA-N
Compound name
N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-(methoxymethyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

422.16827 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.17555 190.9
[M+Na]+ 445.15749 200.2
[M-H]- 421.16099 204.0
[M+NH4]+ 440.20209 204.7
[M+K]+ 461.13143 202.6
[M+H-H2O]+ 405.16553 187.2
[M+HCOO]- 467.16647 206.4
[M+CH3COO]- 481.18212 227.8
[M+Na-2H]- 443.14294 193.6
[M]+ 422.16772 203.1
[M]- 422.16882 203.1
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

patents stripe