CID 165738790

1940206-74-5

Structural Information

Molecular Formula
C17H21BClN3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2Cl)C3=C(N=CN(C3=O)C)C
InChI
InChI=1S/C17H21BClN3O3/c1-10-13(15(23)22(6)9-21-10)11-7-12(14(19)20-8-11)18-24-16(2,3)17(4,5)25-18/h7-9H,1-6H3
InChIKey
ZWFHBVRYPDRNQW-UHFFFAOYSA-N
Compound name
5-[6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]-3,6-dimethylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.13644 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.14372 178.8
[M+Na]+ 384.12566 195.4
[M+NH4]+ 379.17026 188.0
[M+K]+ 400.09960 187.4
[M-H]- 360.12916 185.1
[M+Na-2H]- 382.11111 187.7
[M]+ 361.13589 183.8
[M]- 361.13699 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.