CID 137888275

[3-({3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl}carbamoyl)phenyl]boronic acid

Structural Information

Molecular Formula
C20H23BN2O5
SMILES
B(C1=CC(=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)N3CCCC(C3)CO)(O)O
InChI
InChI=1S/C20H23BN2O5/c24-13-14-4-3-9-23(12-14)20(26)16-6-2-8-18(11-16)22-19(25)15-5-1-7-17(10-15)21(27)28/h1-2,5-8,10-11,14,24,27-28H,3-4,9,12-13H2,(H,22,25)
InChIKey
OOOJKDBXEPCIJY-UHFFFAOYSA-N
Compound name
[3-[[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]carbamoyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.17 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17728 190.2
[M+Na]+ 405.15922 199.4
[M+NH4]+ 400.20382 194.5
[M+K]+ 421.13316 195.6
[M-H]- 381.16272 192.8
[M+Na-2H]- 403.14467 195.0
[M]+ 382.16945 191.7
[M]- 382.17055 191.7
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.