CID 135746692

Brn 0846238

Structural Information

Molecular Formula
C20H26N2O4
SMILES
CCCCOC1=CC=C(C=C1)CC2=NC(=C(C(=O)N2)CC(=O)OCC)C
InChI
InChI=1S/C20H26N2O4/c1-4-6-11-26-16-9-7-15(8-10-16)12-18-21-14(3)17(20(24)22-18)13-19(23)25-5-2/h7-10H,4-6,11-13H2,1-3H3,(H,21,22,24)
InChIKey
SKUXKBCCNQOPQH-UHFFFAOYSA-N
Compound name
ethyl 2-[2-[(4-butoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.18927 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.19655 187.9
[M+Na]+ 381.17849 200.9
[M+NH4]+ 376.22309 192.4
[M+K]+ 397.15243 194.1
[M-H]- 357.18199 189.1
[M+Na-2H]- 379.16394 193.1
[M]+ 358.18872 189.9
[M]- 358.18982 189.9
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.