CID 141635565

2229725-98-6

Structural Information

Molecular Formula
C19H21BN2O6
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCC(=O)NC4=O
InChI
InChI=1S/C19H21BN2O6/c1-18(2)19(3,4)28-20(27-18)10-5-6-11-12(9-10)17(26)22(16(11)25)13-7-8-14(23)21-15(13)24/h5-6,9,13H,7-8H2,1-4H3,(H,21,23,24)
InChIKey
HXUIXDCRHZHRBJ-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

384.14926 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15654 183.3
[M+Na]+ 407.13848 193.1
[M-H]- 383.14198 192.3
[M+NH4]+ 402.18308 197.9
[M+K]+ 423.11242 190.9
[M+H-H2O]+ 367.14652 177.9
[M+HCOO]- 429.14746 195.5
[M+CH3COO]- 443.16311 218.1
[M+Na-2H]- 405.12393 181.3
[M]+ 384.14871 184.3
[M]- 384.14981 184.3
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

patents stripe