PubChemLite - Am 114 (C20H21B2NO5)

Structural Information

Molecular Formula

SMILES

B(O)(O)C1=CC=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)B(O)O)/CN(C2)C

InChI

InChI=1S/C20H21B2NO5/c1-23-12-16(10-14-2-6-18(7-3-14)21(25)26)20(24)17(13-23)11-15-4-8-19(9-5-15)22(27)28/h2-11,25-28H,12-13H2,1H3/b16-10+,17-11+

InChIKey

SRPIKXGUPAKTIZ-OTYYAQKOSA-N

Compound name

[4-[(E)-[(5E)-5-[(4-boronophenyl)methylidene]-1-methyl-4-oxopiperidin-3-ylidene]methyl]phenyl]boronic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	378.16786	189.9
[M+Na]+	400.14980	200.9
[M+NH4]+	395.19440	194.1
[M+K]+	416.12374	196.2
[M-H]-	376.15330	191.8
[M+Na-2H]-	398.13525	193.9
[M]+	377.16003	191.6
[M]-	377.16113	191.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

378.16786

189.9

[M+Na]+

400.14980

200.9

[M+NH4]+

395.19440

194.1

[M+K]+

416.12374

196.2

[M-H]-

376.15330

191.8

[M+Na-2H]-

398.13525

193.9

[M]+

377.16003

191.6

[M]-

377.16113

191.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Am 114

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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