CID 58486170

1247000-99-2

Structural Information

Molecular Formula
C17H29BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N(C)CCN(C)C
InChI
InChI=1S/C17H29BN2O2/c1-16(2)17(3,4)22-18(21-16)14-8-10-15(11-9-14)20(7)13-12-19(5)6/h8-11H,12-13H2,1-7H3
InChIKey
HOUCFPDZEJPGIO-UHFFFAOYSA-N
Compound name
N,N,N'-trimethyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

304.2322 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.23948 172.4
[M+Na]+ 327.22142 182.6
[M+NH4]+ 322.26602 182.9
[M+K]+ 343.19536 175.6
[M-H]- 303.22492 179.8
[M+Na-2H]- 325.20687 180.1
[M]+ 304.23165 176.3
[M]- 304.23275 176.3
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