CID 492856

Schembl6639606

Structural Information

Molecular Formula
C14H17ClN4S
SMILES
CC(C)C1=CC(=CN=C1)C(C)SC2=NC(=CC(=N2)Cl)N
InChI
InChI=1S/C14H17ClN4S/c1-8(2)10-4-11(7-17-6-10)9(3)20-14-18-12(15)5-13(16)19-14/h4-9H,1-3H3,(H2,16,18,19)
InChIKey
KCTARQKRZISFQQ-UHFFFAOYSA-N
Compound name
6-chloro-2-[1-(5-propan-2-ylpyridin-3-yl)ethylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

308.08624 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09352 167.5
[M+Na]+ 331.07546 176.4
[M-H]- 307.07896 170.1
[M+NH4]+ 326.12006 179.5
[M+K]+ 347.04940 169.9
[M+H-H2O]+ 291.08350 159.1
[M+HCOO]- 353.08444 176.5
[M+CH3COO]- 367.10009 206.8
[M+Na-2H]- 329.06091 167.6
[M]+ 308.08569 170.5
[M]- 308.08679 170.5
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

patents stripe