CID 147402903

2193080-10-1

Structural Information

Molecular Formula
C19H23BN2O5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3CN(C(=O)C3=CC=C2)C4CCC(=O)NC4=O
InChI
InChI=1S/C19H23BN2O5/c1-18(2)19(3,4)27-20(26-18)13-7-5-6-11-12(13)10-22(17(11)25)14-8-9-15(23)21-16(14)24/h5-7,14H,8-10H2,1-4H3,(H,21,23,24)
InChIKey
DPCMXGPEAGHINA-UHFFFAOYSA-N
Compound name
3-[3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

370.17 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17728 182.6
[M+Na]+ 393.15922 191.6
[M-H]- 369.16272 191.2
[M+NH4]+ 388.20382 197.7
[M+K]+ 409.13316 189.2
[M+H-H2O]+ 353.16726 176.7
[M+HCOO]- 415.16820 194.5
[M+CH3COO]- 429.18385 193.1
[M+Na-2H]- 391.14467 180.7
[M]+ 370.16945 182.4
[M]- 370.17055 182.4
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