CID 492831

Schembl6639054

Structural Information

Molecular Formula
C11H11ClN4S
SMILES
CC(C1=CC=CC=N1)SC2=NC(=CC(=N2)Cl)N
InChI
InChI=1S/C11H11ClN4S/c1-7(8-4-2-3-5-14-8)17-11-15-9(12)6-10(13)16-11/h2-7H,1H3,(H2,13,15,16)
InChIKey
QXVXXKPOVQCXED-UHFFFAOYSA-N
Compound name
6-chloro-2-(1-pyridin-2-ylethylsulfanyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

266.0393 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.04658 154.4
[M+Na]+ 289.02852 164.2
[M-H]- 265.03202 157.1
[M+NH4]+ 284.07312 168.0
[M+K]+ 305.00246 157.8
[M+H-H2O]+ 249.03656 146.2
[M+HCOO]- 311.03750 165.5
[M+CH3COO]- 325.05315 165.6
[M+Na-2H]- 287.01397 157.7
[M]+ 266.03875 156.5
[M]- 266.03985 156.5
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.