CID 58486170

N1,n1,n2-trimethyl-n2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethane-1,2-diamine

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 172.0
[M+Na]+ 327.22142 178.2
[M-H]- 303.22492 182.7
[M+NH4]+ 322.26602 191.3
[M+K]+ 343.19536 180.2
[M+H-H2O]+ 287.22946 166.1
[M+HCOO]- 349.23040 194.5
[M+CH3COO]- 363.24605 217.6
[M+Na-2H]- 325.20687 175.3
[M]+ 304.23165 177.4
[M]- 304.23275 177.4
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