CID 492851

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

Structural Information

Molecular Formula
C14H15ClN4S
SMILES
CC(C1=NC=CC(=C1)C2CC2)SC3=NC(=CC(=N3)Cl)N
InChI
InChI=1S/C14H15ClN4S/c1-8(20-14-18-12(15)7-13(16)19-14)11-6-10(4-5-17-11)9-2-3-9/h4-9H,2-3H2,1H3,(H2,16,18,19)
InChIKey
ZGRXCXMDTRXFEQ-UHFFFAOYSA-N
Compound name
6-chloro-2-[1-(4-cyclopropylpyridin-2-yl)ethylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.0706 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07788 165.0
[M+Na]+ 329.05982 175.6
[M-H]- 305.06332 170.8
[M+NH4]+ 324.10442 172.4
[M+K]+ 345.03376 167.8
[M+H-H2O]+ 289.06786 156.2
[M+HCOO]- 351.06880 176.5
[M+CH3COO]- 365.08445 175.1
[M+Na-2H]- 327.04527 166.5
[M]+ 306.07005 169.2
[M]- 306.07115 169.2
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