CID 24865889

2518048-22-9

Structural Information

Molecular Formula
C7H10ClN3S
SMILES
CCCSC1=NC=C(C(=N1)Cl)N
InChI
InChI=1S/C7H10ClN3S/c1-2-3-12-7-10-4-5(9)6(8)11-7/h4H,2-3,9H2,1H3
InChIKey
ZKDROFRLEWEOSS-UHFFFAOYSA-N
Compound name
4-chloro-2-propylsulfanylpyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.0284 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.03568 138.8
[M+Na]+ 226.01762 149.0
[M-H]- 202.02112 139.8
[M+NH4]+ 221.06222 156.7
[M+K]+ 241.99156 144.0
[M+H-H2O]+ 186.02566 132.7
[M+HCOO]- 248.02660 151.8
[M+CH3COO]- 262.04225 184.7
[M+Na-2H]- 224.00307 142.1
[M]+ 203.02785 141.8
[M]- 203.02895 141.8
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.