CID 495517

Nsc656983

Structural Information

Molecular Formula
C18H20BFN2O2
SMILES
B(C1=CC=CC=C1)(OC(=O)C(CC2=CC=CC=C2)N=CN(C)C)F
InChI
InChI=1S/C18H20BFN2O2/c1-22(2)14-21-17(13-15-9-5-3-6-10-15)18(23)24-19(20)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3
InChIKey
HRKFOQYXQVNKEB-UHFFFAOYSA-N
Compound name
[fluoro(phenyl)boranyl] 2-(dimethylaminomethylideneamino)-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1602 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.16748 177.7
[M+Na]+ 349.14942 180.7
[M-H]- 325.15292 184.6
[M+NH4]+ 344.19402 191.4
[M+K]+ 365.12336 179.0
[M+H-H2O]+ 309.15746 167.2
[M+HCOO]- 371.15840 201.2
[M+CH3COO]- 385.17405 218.5
[M+Na-2H]- 347.13487 179.4
[M]+ 326.15965 178.5
[M]- 326.16075 178.5
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.