CID 11505543

865812-10-8

Structural Information

Molecular Formula
C24H24BNO
SMILES
B1(N2CCC[C@@H]2C(O1)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5C
InChI
InChI=1S/C24H24BNO/c1-19-11-8-9-16-22(19)25-26-18-10-17-23(26)24(27-25,20-12-4-2-5-13-20)21-14-6-3-7-15-21/h2-9,11-16,23H,10,17-18H2,1H3/t23-/m1/s1
InChIKey
XHMKFCAQQGBIPZ-HSZRJFAPSA-N
Compound name
(3aR)-1-(2-methylphenyl)-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

353.1951 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.20238 186.1
[M+Na]+ 376.18432 201.9
[M+NH4]+ 371.22892 197.8
[M+K]+ 392.15826 193.6
[M-H]- 352.18782 196.3
[M+Na-2H]- 374.16977 197.2
[M]+ 353.19455 191.7
[M]- 353.19565 191.7
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