CID 129958742

1350543-49-5

Structural Information

Molecular Formula
C19H30BN3O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)C3CCN(C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C19H30BN3O4/c1-17(2,3)25-16(24)23-9-8-13(12-23)15-21-10-14(11-22-15)20-26-18(4,5)19(6,7)27-20/h10-11,13H,8-9,12H2,1-7H3
InChIKey
FJTIWFIKDTWLHV-UHFFFAOYSA-N
Compound name
tert-butyl 3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.23294 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.24022 184.9
[M+Na]+ 398.22216 192.0
[M-H]- 374.22566 192.5
[M+NH4]+ 393.26676 198.2
[M+K]+ 414.19610 192.6
[M+H-H2O]+ 358.23020 178.4
[M+HCOO]- 420.23114 197.4
[M+CH3COO]- 434.24679 215.7
[M+Na-2H]- 396.20761 184.8
[M]+ 375.23239 188.3
[M]- 375.23349 188.3
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

No patent data available for this compound.