CID 495784

3,4-dimethyl-2,2,5-triphenyl-1-oxa-3-aza-2-boranuidacyclopentane

Structural Information

Molecular Formula
C22H23BNO
SMILES
[B-]1(N(C(C(O1)C2=CC=CC=C2)C)C)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H23BNO/c1-18-22(19-12-6-3-7-13-19)25-23(24(18)2,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22H,1-2H3/q-1
InChIKey
SFIQEHFTNZMTTP-UHFFFAOYSA-N
Compound name
3,4-dimethyl-2,2,5-triphenyl-1-oxa-3-aza-2-boranuidacyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.18726 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.19454 175.2
[M+Na]+ 351.17648 181.4
[M-H]- 327.17998 185.3
[M+NH4]+ 346.22108 188.8
[M+K]+ 367.15042 176.4
[M+H-H2O]+ 311.18452 167.1
[M+HCOO]- 373.18546 194.4
[M+CH3COO]- 387.20111 185.8
[M+Na-2H]- 349.16193 176.9
[M]+ 328.18671 171.1
[M]- 328.18781 171.1
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.