CID 58097877

1131220-85-3

Structural Information

Molecular Formula
C21H32BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3CN(CCO3)C(=O)OC(C)(C)C
InChI
InChI=1S/C21H32BNO5/c1-19(2,3)26-18(24)23-12-13-25-17(14-23)15-8-10-16(11-9-15)22-27-20(4,5)21(6,7)28-22/h8-11,17H,12-14H2,1-7H3
InChIKey
HZGAGXLTLIAHJH-UHFFFAOYSA-N
Compound name
tert-butyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

389.23737 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.24465 190.0
[M+Na]+ 412.22659 195.6
[M-H]- 388.23009 199.9
[M+NH4]+ 407.27119 202.1
[M+K]+ 428.20053 197.7
[M+H-H2O]+ 372.23463 183.9
[M+HCOO]- 434.23557 201.3
[M+CH3COO]- 448.25122 219.3
[M+Na-2H]- 410.21204 191.7
[M]+ 389.23682 193.0
[M]- 389.23792 193.0
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