CID 71632135

1202805-37-5

Structural Information

Molecular Formula
C20H33BN4O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)N3CCC(CC3)NC(=O)OC(C)(C)C
InChI
InChI=1S/C20H33BN4O4/c1-18(2,3)27-17(26)24-15-8-10-25(11-9-15)16-22-12-14(13-23-16)21-28-19(4,5)20(6,7)29-21/h12-13,15H,8-11H2,1-7H3,(H,24,26)
InChIKey
RNTATACWQKNHJR-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

404.2595 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.26678 196.2
[M+Na]+ 427.24872 201.2
[M-H]- 403.25222 202.8
[M+NH4]+ 422.29332 205.8
[M+K]+ 443.22266 201.6
[M+H-H2O]+ 387.25676 187.6
[M+HCOO]- 449.25770 206.9
[M+CH3COO]- 463.27335 224.3
[M+Na-2H]- 425.23417 197.6
[M]+ 404.25895 197.0
[M]- 404.26005 197.0
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