CID 9997300

145238-45-5

Structural Information

Molecular Formula
C23H22BNO
SMILES
B1(N2CCC[C@@H]2C(O1)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C23H22BNO/c1-4-11-19(12-5-1)23(20-13-6-2-7-14-20)22-17-10-18-25(22)24(26-23)21-15-8-3-9-16-21/h1-9,11-16,22H,10,17-18H2/t22-/m1/s1
InChIKey
GXAMQZFEKIDKAP-JOCHJYFZSA-N
Compound name
(3aR)-1,3,3-triphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

339.17944 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.18672 180.6
[M+Na]+ 362.16866 186.8
[M-H]- 338.17216 193.1
[M+NH4]+ 357.21326 196.8
[M+K]+ 378.14260 181.4
[M+H-H2O]+ 322.17670 170.8
[M+HCOO]- 384.17764 199.3
[M+CH3COO]- 398.19329 191.2
[M+Na-2H]- 360.15411 181.4
[M]+ 339.17889 177.3
[M]- 339.17999 177.3
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