CID 492750

Schembl6635086

Structural Information

Molecular Formula
C16H20ClN5OS
SMILES
CC(C1=NC=CC(=C1)CN2CCOCC2)SC3=NC(=CC(=N3)Cl)N
InChI
InChI=1S/C16H20ClN5OS/c1-11(24-16-20-14(17)9-15(18)21-16)13-8-12(2-3-19-13)10-22-4-6-23-7-5-22/h2-3,8-9,11H,4-7,10H2,1H3,(H2,18,20,21)
InChIKey
UZCWDCLPCRZIDT-UHFFFAOYSA-N
Compound name
6-chloro-2-[1-[4-(morpholin-4-ylmethyl)pyridin-2-yl]ethylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

365.1077 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.11498 182.9
[M+Na]+ 388.09692 189.7
[M-H]- 364.10042 186.7
[M+NH4]+ 383.14152 189.1
[M+K]+ 404.07086 183.6
[M+H-H2O]+ 348.10496 172.1
[M+HCOO]- 410.10590 187.5
[M+CH3COO]- 424.12155 190.6
[M+Na-2H]- 386.08237 183.2
[M]+ 365.10715 182.8
[M]- 365.10825 182.8
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.