CID 123797854

Tert-butyl (3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propyl)carbamate

Structural Information

Molecular Formula
C20H32BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C20H32BNO4/c1-18(2,3)24-17(23)22-14-8-9-15-10-12-16(13-11-15)21-25-19(4,5)20(6,7)26-21/h10-13H,8-9,14H2,1-7H3,(H,22,23)
InChIKey
PROGISUUFQXTTB-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

361.24243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.24971 185.4
[M+Na]+ 384.23165 191.3
[M-H]- 360.23515 193.2
[M+NH4]+ 379.27625 201.6
[M+K]+ 400.20559 191.8
[M+H-H2O]+ 344.23969 180.6
[M+HCOO]- 406.24063 203.1
[M+CH3COO]- 420.25628 217.6
[M+Na-2H]- 382.21710 189.0
[M]+ 361.24188 191.2
[M]- 361.24298 191.2
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