CID 15956130

Chembl201926

Structural Information

Molecular Formula
C17H20ClN3O3
SMILES
CC(=CCOC1=C(C=CC(=C1)NC2=NC(=CC(=N2)OC)OC)Cl)C
InChI
InChI=1S/C17H20ClN3O3/c1-11(2)7-8-24-14-9-12(5-6-13(14)18)19-17-20-15(22-3)10-16(21-17)23-4/h5-7,9-10H,8H2,1-4H3,(H,19,20,21)
InChIKey
ZMEVHLZQVRWHBJ-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-4,6-dimethoxypyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

349.11932 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.12660 180.8
[M+Na]+ 372.10854 189.3
[M-H]- 348.11204 185.0
[M+NH4]+ 367.15314 192.2
[M+K]+ 388.08248 184.4
[M+H-H2O]+ 332.11658 171.5
[M+HCOO]- 394.11752 197.7
[M+CH3COO]- 408.13317 215.1
[M+Na-2H]- 370.09399 183.3
[M]+ 349.11877 187.7
[M]- 349.11987 187.7
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.