CID 3013445

6-benzyl-1-(cyclohex-3-en-1-ylmethoxymethyl)-5-propyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CCCC1=C(N(C(=O)NC1=O)COCC2CCC=CC2)CC3=CC=CC=C3
InChI
InChI=1S/C22H28N2O3/c1-2-9-19-20(14-17-10-5-3-6-11-17)24(22(26)23-21(19)25)16-27-15-18-12-7-4-8-13-18/h3-7,10-11,18H,2,8-9,12-16H2,1H3,(H,23,25,26)
InChIKey
ZMLIMOIFAOZQIY-UHFFFAOYSA-N
Compound name
6-benzyl-1-(cyclohex-3-en-1-ylmethoxymethyl)-5-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.21 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 190.8
[M+Na]+ 391.19922 196.4
[M-H]- 367.20272 195.6
[M+NH4]+ 386.24382 199.2
[M+K]+ 407.17316 189.7
[M+H-H2O]+ 351.20726 179.3
[M+HCOO]- 413.20820 207.3
[M+CH3COO]- 427.22385 214.9
[M+Na-2H]- 389.18467 191.5
[M]+ 368.20945 190.4
[M]- 368.21055 190.4
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.