CID 3049362

64678-08-6

Structural Information

Molecular Formula
C20H25ClN2O3
SMILES
CCCCOC1=CC=C(C=C1)CC2=NC(=C(C(=N2)Cl)CC(=O)OCC)C
InChI
InChI=1S/C20H25ClN2O3/c1-4-6-11-26-16-9-7-15(8-10-16)12-18-22-14(3)17(20(21)23-18)13-19(24)25-5-2/h7-10H,4-6,11-13H2,1-3H3
InChIKey
SKVNZPJOESPIGS-UHFFFAOYSA-N
Compound name
ethyl 2-[2-[(4-butoxyphenyl)methyl]-4-chloro-6-methylpyrimidin-5-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.15536 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.16264 190.6
[M+Na]+ 399.14458 205.5
[M+NH4]+ 394.18918 196.7
[M+K]+ 415.11852 197.0
[M-H]- 375.14808 193.1
[M+Na-2H]- 397.13003 197.1
[M]+ 376.15481 193.8
[M]- 376.15591 193.8
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.