CID 75175980

1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trimethylsilyl)-1h-1,2,3-triazole

Structural Information

Molecular Formula
C18H28BN3O2Si
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=NN2CC3=CC=CC=C3)[Si](C)(C)C
InChI
InChI=1S/C18H28BN3O2Si/c1-17(2)18(3,4)24-19(23-17)15-16(25(5,6)7)20-21-22(15)13-14-11-9-8-10-12-14/h8-12H,13H2,1-7H3
InChIKey
BSRMDWYBIWENRW-UHFFFAOYSA-N
Compound name
[1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-4-yl]-trimethylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.20438 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.21166 179.0
[M+Na]+ 380.19360 188.3
[M-H]- 356.19710 187.0
[M+NH4]+ 375.23820 193.9
[M+K]+ 396.16754 187.2
[M+H-H2O]+ 340.20164 171.7
[M+HCOO]- 402.20258 194.7
[M+CH3COO]- 416.21823 212.6
[M+Na-2H]- 378.17905 180.9
[M]+ 357.20383 183.8
[M]- 357.20493 183.8
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.