CID 3049358

Brn 0934223

Structural Information

Molecular Formula
C17H19ClN2O3
SMILES
CCOC(=O)CC1=C(N=C(N=C1Cl)CC2=CC=C(C=C2)OC)C
InChI
InChI=1S/C17H19ClN2O3/c1-4-23-16(21)10-14-11(2)19-15(20-17(14)18)9-12-5-7-13(22-3)8-6-12/h5-8H,4,9-10H2,1-3H3
InChIKey
WKAGIFXDICTIGG-UHFFFAOYSA-N
Compound name
ethyl 2-[4-chloro-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-5-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.10843 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.11571 177.0
[M+Na]+ 357.09765 192.5
[M+NH4]+ 352.14225 183.6
[M+K]+ 373.07159 184.7
[M-H]- 333.10115 179.7
[M+Na-2H]- 355.08310 184.4
[M]+ 334.10788 180.3
[M]- 334.10898 180.3
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

No patent data available for this compound.