CID 165649450

En300-37104803

Structural Information

Molecular Formula
C19H27BN4O5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)N3C(=O)N(N=N3)CC(=O)OC(C)(C)C
InChI
InChI=1S/C19H27BN4O5/c1-17(2,3)27-15(25)12-23-16(26)24(22-21-23)14-10-8-9-13(11-14)20-28-18(4,5)19(6,7)29-20/h8-11H,12H2,1-7H3
InChIKey
XPZCXZPJOIMCRH-UHFFFAOYSA-N
Compound name
tert-butyl 2-[5-oxo-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]tetrazol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.20746 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.21474 187.5
[M+Na]+ 425.19668 197.3
[M-H]- 401.20018 195.1
[M+NH4]+ 420.24128 198.5
[M+K]+ 441.17062 197.5
[M+H-H2O]+ 385.20472 180.5
[M+HCOO]- 447.20566 201.8
[M+CH3COO]- 461.22131 221.2
[M+Na-2H]- 423.18213 188.7
[M]+ 402.20691 195.4
[M]- 402.20801 195.4
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

No patent data available for this compound.