CID 492814

6-chloro-2-[[4-(1-ethylpropyl)-2-pyridyl]methylsulfanyl]pyrimidin-4-amine

Structural Information

Molecular Formula
C15H19ClN4S
SMILES
CCC(CC)C1=CC(=NC=C1)CSC2=NC(=CC(=N2)Cl)N
InChI
InChI=1S/C15H19ClN4S/c1-3-10(4-2)11-5-6-18-12(7-11)9-21-15-19-13(16)8-14(17)20-15/h5-8,10H,3-4,9H2,1-2H3,(H2,17,19,20)
InChIKey
FVPLEAAUXIKDKD-UHFFFAOYSA-N
Compound name
6-chloro-2-[(4-pentan-3-ylpyridin-2-yl)methylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

322.1019 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10918 172.2
[M+Na]+ 345.09112 181.0
[M-H]- 321.09462 174.5
[M+NH4]+ 340.13572 183.7
[M+K]+ 361.06506 173.7
[M+H-H2O]+ 305.09916 163.3
[M+HCOO]- 367.10010 181.9
[M+CH3COO]- 381.11575 208.8
[M+Na-2H]- 343.07657 172.7
[M]+ 322.10135 176.0
[M]- 322.10245 176.0
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