CID 57416871

1257648-78-4

Structural Information

Molecular Formula
C19H28BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CNCCCN3C=CN=C3
InChI
InChI=1S/C19H28BN3O2/c1-18(2)19(3,4)25-20(24-18)17-8-6-16(7-9-17)14-21-10-5-12-23-13-11-22-15-23/h6-9,11,13,15,21H,5,10,12,14H2,1-4H3
InChIKey
OJNUJXDRCCIJCB-UHFFFAOYSA-N
Compound name
3-imidazol-1-yl-N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

341.22745 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.23473 179.5
[M+Na]+ 364.21667 190.8
[M+NH4]+ 359.26127 189.0
[M+K]+ 380.19061 184.6
[M-H]- 340.22017 186.2
[M+Na-2H]- 362.20212 187.8
[M]+ 341.22690 183.3
[M]- 341.22800 183.3
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

patents stripe