CID 16659491

5-ethyl-1-(3-methylbut-2-enoxymethyl)-6-(tetralin-1-ylmethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C23H30N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)COCC=C(C)C)CC2CCCC3=CC=CC=C23
InChI
InChI=1S/C23H30N2O3/c1-4-19-21(14-18-10-7-9-17-8-5-6-11-20(17)18)25(23(27)24-22(19)26)15-28-13-12-16(2)3/h5-6,8,11-12,18H,4,7,9-10,13-15H2,1-3H3,(H,24,26,27)
InChIKey
WYWAHCZBWQELPC-UHFFFAOYSA-N
Compound name
5-ethyl-1-(3-methylbut-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

382.22565 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.23293 195.6
[M+Na]+ 405.21487 201.8
[M-H]- 381.21837 198.2
[M+NH4]+ 400.25947 205.0
[M+K]+ 421.18881 194.9
[M+H-H2O]+ 365.22291 185.3
[M+HCOO]- 427.22385 209.4
[M+CH3COO]- 441.23950 220.4
[M+Na-2H]- 403.20032 194.7
[M]+ 382.22510 196.0
[M]- 382.22620 196.0
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.