CID 492850

4-pyrimidinamine, 6-chloro-2-[[1-(4-cyclopentyl-2-pyridinyl)ethyl]thio]-

Structural Information

Molecular Formula
C16H19ClN4S
SMILES
CC(C1=NC=CC(=C1)C2CCCC2)SC3=NC(=CC(=N3)Cl)N
InChI
InChI=1S/C16H19ClN4S/c1-10(22-16-20-14(17)9-15(18)21-16)13-8-12(6-7-19-13)11-4-2-3-5-11/h6-11H,2-5H2,1H3,(H2,18,20,21)
InChIKey
SUUADNYZSUSIQT-UHFFFAOYSA-N
Compound name
6-chloro-2-[1-(4-cyclopentylpyridin-2-yl)ethylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

334.1019 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10918 176.0
[M+Na]+ 357.09112 184.0
[M-H]- 333.09462 181.4
[M+NH4]+ 352.13572 188.5
[M+K]+ 373.06506 176.9
[M+H-H2O]+ 317.09916 166.9
[M+HCOO]- 379.10010 185.0
[M+CH3COO]- 393.11575 185.6
[M+Na-2H]- 355.07657 173.8
[M]+ 334.10135 176.2
[M]- 334.10245 176.2
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