CID 492749

4-pyrimidinamine, 6-chloro-2-[[cyclopropyl[4-(1-methylethyl)-2-pyridinyl]methyl]thio]-

Structural Information

Molecular Formula
C16H19ClN4S
SMILES
CC(C)C1=CC(=NC=C1)C(C2CC2)SC3=NC(=CC(=N3)Cl)N
InChI
InChI=1S/C16H19ClN4S/c1-9(2)11-5-6-19-12(7-11)15(10-3-4-10)22-16-20-13(17)8-14(18)21-16/h5-10,15H,3-4H2,1-2H3,(H2,18,20,21)
InChIKey
WSMKHJBKROHZGO-UHFFFAOYSA-N
Compound name
6-chloro-2-[cyclopropyl-(4-propan-2-ylpyridin-2-yl)methyl]sulfanylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1019 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10918 171.6
[M+Na]+ 357.09112 180.9
[M-H]- 333.09462 177.1
[M+NH4]+ 352.13572 177.8
[M+K]+ 373.06506 173.2
[M+H-H2O]+ 317.09916 162.7
[M+HCOO]- 379.10010 181.5
[M+CH3COO]- 393.11575 180.8
[M+Na-2H]- 355.07657 171.3
[M]+ 334.10135 176.0
[M]- 334.10245 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

No patent data available for this compound.