CID 15957712

Schembl6086447

Structural Information

Molecular Formula
C23H26N2O4
SMILES
CC1=CC(=CC(=C1)OC2=C(C(=O)NC(=O)N2CC3=CC(=CC=C3)OC)C(C)C)C
InChI
InChI=1S/C23H26N2O4/c1-14(2)20-21(26)24-23(27)25(13-17-7-6-8-18(12-17)28-5)22(20)29-19-10-15(3)9-16(4)11-19/h6-12,14H,13H2,1-5H3,(H,24,26,27)
InChIKey
GGNDHGAOKKYVJJ-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylphenoxy)-1-[(3-methoxyphenyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

394.18927 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19655 196.0
[M+Na]+ 417.17849 205.4
[M-H]- 393.18199 202.8
[M+NH4]+ 412.22309 204.2
[M+K]+ 433.15243 199.8
[M+H-H2O]+ 377.18653 185.0
[M+HCOO]- 439.18747 214.2
[M+CH3COO]- 453.20312 224.1
[M+Na-2H]- 415.16394 195.0
[M]+ 394.18872 200.9
[M]- 394.18982 200.9
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

patents stripe