CID 15957734

Schembl6087128

Structural Information

Molecular Formula
C24H28N2O3
SMILES
CC1=CC(=CC(=C1)CN2C(=C(C(=O)NC2=O)C(C)C)OC3=CC(=CC(=C3)C)C)C
InChI
InChI=1S/C24H28N2O3/c1-14(2)21-22(27)25-24(28)26(13-19-9-15(3)7-16(4)10-19)23(21)29-20-11-17(5)8-18(6)12-20/h7-12,14H,13H2,1-6H3,(H,25,27,28)
InChIKey
GYKVOWLSAMKHNZ-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylphenoxy)-1-[(3,5-dimethylphenyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

392.21 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.21728 197.1
[M+Na]+ 415.19922 207.2
[M-H]- 391.20272 204.1
[M+NH4]+ 410.24382 205.8
[M+K]+ 431.17316 200.7
[M+H-H2O]+ 375.20726 186.5
[M+HCOO]- 437.20820 214.7
[M+CH3COO]- 451.22385 226.2
[M+Na-2H]- 413.18467 194.8
[M]+ 392.20945 201.4
[M]- 392.21055 201.4
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

patents stripe