CID 123286452

1798843-13-6

Structural Information

Molecular Formula
C22H34BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(CCCC3)NC(=O)OC(C)(C)C
InChI
InChI=1S/C22H34BNO4/c1-20(2,3)26-19(25)24-18-11-9-8-10-15-14-16(12-13-17(15)18)23-27-21(4,5)22(6,7)28-23/h12-14,18H,8-11H2,1-7H3,(H,24,25)
InChIKey
BJGKKKJZEAHJFP-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

387.2581 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.26538 193.3
[M+Na]+ 410.24732 200.1
[M+NH4]+ 405.29192 201.3
[M+K]+ 426.22126 195.5
[M-H]- 386.25082 197.6
[M+Na-2H]- 408.23277 197.1
[M]+ 387.25755 195.8
[M]- 387.25865 195.8
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