CID 2735514

70523-24-9

Structural Information

Molecular Formula
C18H17BN2O4
SMILES
B(C1=CN=C(N=C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)(O)O
InChI
InChI=1S/C18H17BN2O4/c22-19(23)16-11-20-18(25-13-15-9-5-2-6-10-15)21-17(16)24-12-14-7-3-1-4-8-14/h1-11,22-23H,12-13H2
InChIKey
HVVGEQHZGHNHJD-UHFFFAOYSA-N
Compound name
[2,4-bis(phenylmethoxy)pyrimidin-5-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

336.12814 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.13542 176.4
[M+Na]+ 359.11736 182.2
[M-H]- 335.12086 180.6
[M+NH4]+ 354.16196 184.9
[M+K]+ 375.09130 177.4
[M+H-H2O]+ 319.12540 165.5
[M+HCOO]- 381.12634 194.4
[M+CH3COO]- 395.14199 204.3
[M+Na-2H]- 357.10281 181.3
[M]+ 336.12759 177.4
[M]- 336.12869 177.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe