CID 15957770

Schembl6087068

Structural Information

Molecular Formula
C26H26N2O3
SMILES
CC1=CC(=CC(=C1)OC2=C(C(=O)NC(=O)N2CC3=CC4=CC=CC=C4C=C3)C(C)C)C
InChI
InChI=1S/C26H26N2O3/c1-16(2)23-24(29)27-26(30)28(25(23)31-22-12-17(3)11-18(4)13-22)15-19-9-10-20-7-5-6-8-21(20)14-19/h5-14,16H,15H2,1-4H3,(H,27,29,30)
InChIKey
UMAXJSBNSOXMTP-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylphenoxy)-1-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

414.19434 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.20162 204.4
[M+Na]+ 437.18356 213.7
[M-H]- 413.18706 211.7
[M+NH4]+ 432.22816 212.4
[M+K]+ 453.15750 206.3
[M+H-H2O]+ 397.19160 192.6
[M+HCOO]- 459.19254 220.7
[M+CH3COO]- 473.20819 213.2
[M+Na-2H]- 435.16901 204.7
[M]+ 414.19379 207.3
[M]- 414.19489 207.3
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