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 178.5
[M+Na]+ 364.21667 185.6
[M-H]- 340.22017 187.1
[M+NH4]+ 359.26127 194.0
[M+K]+ 380.19061 183.9
[M+H-H2O]+ 324.22471 170.5
[M+HCOO]- 386.22565 198.2
[M+CH3COO]- 400.24130 212.9
[M+Na-2H]- 362.20212 180.9
[M]+ 341.22690 182.2
[M]- 341.22800 182.2
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