CID 15957776

Schembl6088257

Structural Information

Molecular Formula
C30H28N2O3
SMILES
CC1=CC(=CC(=C1)OC2=C(C(=O)NC(=O)N2CC3=C4C=CC=CC4=CC5=CC=CC=C53)C(C)C)C
InChI
InChI=1S/C30H28N2O3/c1-18(2)27-28(33)31-30(34)32(29(27)35-23-14-19(3)13-20(4)15-23)17-26-24-11-7-5-9-21(24)16-22-10-6-8-12-25(22)26/h5-16,18H,17H2,1-4H3,(H,31,33,34)
InChIKey
BTAZIKSKCDVQOB-UHFFFAOYSA-N
Compound name
1-(anthracen-9-ylmethyl)-6-(3,5-dimethylphenoxy)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

464.21 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.21728 220.2
[M+Na]+ 487.19922 230.2
[M-H]- 463.20272 228.3
[M+NH4]+ 482.24382 226.7
[M+K]+ 503.17316 221.7
[M+H-H2O]+ 447.20726 206.9
[M+HCOO]- 509.20820 235.5
[M+CH3COO]- 523.22385 228.0
[M+Na-2H]- 485.18467 221.1
[M]+ 464.20945 224.3
[M]- 464.21055 224.3
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