CID 67450745

Schembl2554301

Structural Information

Molecular Formula
C21H34BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C)(C)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C21H34BNO4/c1-18(2,3)25-17(24)23-14-19(4,5)15-10-12-16(13-11-15)22-26-20(6,7)21(8,9)27-22/h10-13H,14H2,1-9H3,(H,23,24)
InChIKey
QBLBAUGTVCKBKF-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-methyl-2-[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

21
Patents

375.2581 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.26538 187.0
[M+Na]+ 398.24732 192.9
[M-H]- 374.25082 195.0
[M+NH4]+ 393.29192 202.8
[M+K]+ 414.22126 194.0
[M+H-H2O]+ 358.25536 183.1
[M+HCOO]- 420.25630 202.9
[M+CH3COO]- 434.27195 221.2
[M+Na-2H]- 396.23277 191.9
[M]+ 375.25755 192.8
[M]- 375.25865 192.8
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