CID 3022112

Cm 40858

Structural Information

Molecular Formula
C15H15Cl2N3O
SMILES
C1CN(CCC1O)C2=NC=C(C(=N2)C3=CC=CC=C3Cl)Cl
InChI
InChI=1S/C15H15Cl2N3O/c16-12-4-2-1-3-11(12)14-13(17)9-18-15(19-14)20-7-5-10(21)6-8-20/h1-4,9-10,21H,5-8H2
InChIKey
IOBOMMZVOPSBSJ-UHFFFAOYSA-N
Compound name
1-[5-chloro-4-(2-chlorophenyl)pyrimidin-2-yl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

323.0592 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.06648 171.5
[M+Na]+ 346.04842 180.0
[M-H]- 322.05192 174.4
[M+NH4]+ 341.09302 181.9
[M+K]+ 362.02236 172.4
[M+H-H2O]+ 306.05646 161.3
[M+HCOO]- 368.05740 177.2
[M+CH3COO]- 382.07305 180.5
[M+Na-2H]- 344.03387 173.7
[M]+ 323.05865 169.8
[M]- 323.05975 169.8
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

patents stripe