CID 44755195

1072944-91-2

Structural Information

Molecular Formula
C23H25BN2O4
SMILES
B1(OCC(CO1)(C)C)C2=CN=C(N=C2OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C23H25BN2O4/c1-23(2)16-29-24(30-17-23)20-13-25-22(28-15-19-11-7-4-8-12-19)26-21(20)27-14-18-9-5-3-6-10-18/h3-13H,14-17H2,1-2H3
InChIKey
MRUSBJLGIGLWMC-UHFFFAOYSA-N
Compound name
5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2,4-bis(phenylmethoxy)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.19073 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.19801 199.3
[M+Na]+ 427.17995 204.7
[M-H]- 403.18345 209.5
[M+NH4]+ 422.22455 205.3
[M+K]+ 443.15389 202.6
[M+H-H2O]+ 387.18799 185.8
[M+HCOO]- 449.18893 214.5
[M+CH3COO]- 463.20458 207.7
[M+Na-2H]- 425.16540 203.5
[M]+ 404.19018 200.9
[M]- 404.19128 200.9
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.