CID 492779

4-pyrimidinamine, 6-chloro-2-[[(4-cyclopropyl-2-pyridinyl)methyl]thio]-

Structural Information

Molecular Formula
C13H13ClN4S
SMILES
C1CC1C2=CC(=NC=C2)CSC3=NC(=CC(=N3)Cl)N
InChI
InChI=1S/C13H13ClN4S/c14-11-6-12(15)18-13(17-11)19-7-10-5-9(3-4-16-10)8-1-2-8/h3-6,8H,1-2,7H2,(H2,15,17,18)
InChIKey
MBAZZPZWBWBRHM-UHFFFAOYSA-N
Compound name
6-chloro-2-[(4-cyclopropylpyridin-2-yl)methylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.05493 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.06221 162.1
[M+Na]+ 315.04415 173.4
[M-H]- 291.04765 167.9
[M+NH4]+ 310.08875 170.1
[M+K]+ 331.01809 165.4
[M+H-H2O]+ 275.05219 153.2
[M+HCOO]- 337.05313 174.8
[M+CH3COO]- 351.06878 172.6
[M+Na-2H]- 313.02960 164.8
[M]+ 292.05438 166.3
[M]- 292.05548 166.3
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