CID 53217224

1256360-04-9

Structural Information

Molecular Formula
C18H28BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C18H28BNO4/c1-12-11-13(20-15(21)22-16(2,3)4)9-10-14(12)19-23-17(5,6)18(7,8)24-19/h9-11H,1-8H3,(H,20,21)
InChIKey
YNSJUGFYOGEXHY-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

333.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.21843 174.9
[M+Na]+ 356.20037 182.7
[M-H]- 332.20387 183.6
[M+NH4]+ 351.24497 192.6
[M+K]+ 372.17431 183.6
[M+H-H2O]+ 316.20841 171.0
[M+HCOO]- 378.20935 193.3
[M+CH3COO]- 392.22500 213.0
[M+Na-2H]- 354.18582 179.1
[M]+ 333.21060 180.5
[M]- 333.21170 180.5
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