CID 16659493

5-ethyl-1-(2-methylallyloxymethyl)-6-(tetralin-1-ylmethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)COCC(=C)C)CC2CCCC3=CC=CC=C23
InChI
InChI=1S/C22H28N2O3/c1-4-18-20(12-17-10-7-9-16-8-5-6-11-19(16)17)24(14-27-13-15(2)3)22(26)23-21(18)25/h5-6,8,11,17H,2,4,7,9-10,12-14H2,1,3H3,(H,23,25,26)
InChIKey
GBLSVOMSRCKNBZ-UHFFFAOYSA-N
Compound name
5-ethyl-1-(2-methylprop-2-enoxymethyl)-6-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.21 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 190.8
[M+Na]+ 391.19922 197.4
[M-H]- 367.20272 193.6
[M+NH4]+ 386.24382 200.7
[M+K]+ 407.17316 190.8
[M+H-H2O]+ 351.20726 180.7
[M+HCOO]- 413.20820 205.0
[M+CH3COO]- 427.22385 218.1
[M+Na-2H]- 389.18467 190.5
[M]+ 368.20945 191.0
[M]- 368.21055 191.0
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.