CID 165941002

En300-28257380

Structural Information

Molecular Formula
C22H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC=C(C3=CC=C2)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C22H30BNO4/c1-20(2,3)26-19(25)24-14-15-10-8-12-17-16(15)11-9-13-18(17)23-27-21(4,5)22(6,7)28-23/h8-13H,14H2,1-7H3,(H,24,25)
InChIKey
YYRJWLWMRDZUEU-UHFFFAOYSA-N
Compound name
tert-butyl N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.23406 191.5
[M+Na]+ 406.21600 198.9
[M-H]- 382.21950 200.6
[M+NH4]+ 401.26060 207.8
[M+K]+ 422.18994 198.5
[M+H-H2O]+ 366.22404 186.0
[M+HCOO]- 428.22498 208.1
[M+CH3COO]- 442.24063 222.6
[M+Na-2H]- 404.20145 195.8
[M]+ 383.22623 197.1
[M]- 383.22733 197.1
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

No patent data available for this compound.