CID 90315932

1505515-74-1

Structural Information

Molecular Formula
C19H30BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C19H30BNO5/c1-17(2,3)24-16(22)21-12-13-23-15-10-8-14(9-11-15)20-25-18(4,5)19(6,7)26-20/h8-11H,12-13H2,1-7H3,(H,21,22)
InChIKey
NGKGVDKSWLOSRW-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

363.2217 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.22898 183.6
[M+Na]+ 386.21092 189.8
[M-H]- 362.21442 191.6
[M+NH4]+ 381.25552 199.6
[M+K]+ 402.18486 191.1
[M+H-H2O]+ 346.21896 178.9
[M+HCOO]- 408.21990 201.8
[M+CH3COO]- 422.23555 216.9
[M+Na-2H]- 384.19637 188.1
[M]+ 363.22115 190.6
[M]- 363.22225 190.6
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