CID 16414228

942922-07-8

Structural Information

Molecular Formula
C15H25BN4O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)N3CCN(CC3)C
InChI
InChI=1S/C15H25BN4O2/c1-14(2)15(3,4)22-16(21-14)12-10-17-13(18-11-12)20-8-6-19(5)7-9-20/h10-11H,6-9H2,1-5H3
InChIKey
LGIDGOSYDQTQDO-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

179
Patents

304.20706 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.21434 171.4
[M+Na]+ 327.19628 184.0
[M+NH4]+ 322.24088 180.5
[M+K]+ 343.17022 177.1
[M-H]- 303.19978 176.8
[M+Na-2H]- 325.18173 178.7
[M]+ 304.20651 175.0
[M]- 304.20761 175.0
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