CID 74889592

E-2040

Structural Information

Molecular Formula
C15H23BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CN=C(C=C2OCC)N
InChI
InChI=1S/C15H23BN2O3/c1-6-19-12-9-13(17)18-10-11(12)7-8-16-20-14(2,3)15(4,5)21-16/h7-10H,6H2,1-5H3,(H2,17,18)/b8-7+
InChIKey
LHNZICNYYCFWCS-BQYQJAHWSA-N
Compound name
4-ethoxy-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.18018 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18746 164.8
[M+Na]+ 313.16940 173.8
[M-H]- 289.17290 171.7
[M+NH4]+ 308.21400 182.5
[M+K]+ 329.14334 173.0
[M+H-H2O]+ 273.17744 159.1
[M+HCOO]- 335.17838 184.6
[M+CH3COO]- 349.19403 203.9
[M+Na-2H]- 311.15485 168.7
[M]+ 290.17963 168.6
[M]- 290.18073 168.6
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.