CID 2566108

1-({4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl}methyl)-4-methylpiperidine

Structural Information

Molecular Formula
C15H20ClN3S
SMILES
CC1CCN(CC1)CC2=NC3=C(C(=C(S3)C)C)C(=N2)Cl
InChI
InChI=1S/C15H20ClN3S/c1-9-4-6-19(7-5-9)8-12-17-14(16)13-10(2)11(3)20-15(13)18-12/h9H,4-8H2,1-3H3
InChIKey
RJVGAHBYZTUEIS-UHFFFAOYSA-N
Compound name
4-chloro-5,6-dimethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.10666 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11394 171.1
[M+Na]+ 332.09588 182.4
[M-H]- 308.09938 175.2
[M+NH4]+ 327.14048 187.2
[M+K]+ 348.06982 175.7
[M+H-H2O]+ 292.10392 163.4
[M+HCOO]- 354.10486 179.2
[M+CH3COO]- 368.12051 182.2
[M+Na-2H]- 330.08133 169.5
[M]+ 309.10611 175.0
[M]- 309.10721 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

No patent data available for this compound.