CID 10569782

201802-29-1

Structural Information

Molecular Formula
C20H20BNO4
SMILES
B(C1=CC=C(C=C1)N(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)(O)O
InChI
InChI=1S/C20H20BNO4/c1-25-19-11-7-17(8-12-19)22(18-9-13-20(26-2)14-10-18)16-5-3-15(4-6-16)21(23)24/h3-14,23-24H,1-2H3
InChIKey
HDVVFJKYLNSKOG-UHFFFAOYSA-N
Compound name
[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

349.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.15581 180.9
[M+Na]+ 372.13775 185.9
[M-H]- 348.14125 189.3
[M+NH4]+ 367.18235 192.2
[M+K]+ 388.11169 183.0
[M+H-H2O]+ 332.14579 171.1
[M+HCOO]- 394.14673 202.4
[M+CH3COO]- 408.16238 214.4
[M+Na-2H]- 370.12320 183.4
[M]+ 349.14798 182.6
[M]- 349.14908 182.6
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