CID 332835

69310-78-7

Structural Information

Molecular Formula
C23H28N2O5
SMILES
CCOC(=O)C1CC2=C(N(C(=O)N(C2=O)C)C3CCCCC3)OC1C4=CC=CC=C4
InChI
InChI=1S/C23H28N2O5/c1-3-29-22(27)17-14-18-20(26)24(2)23(28)25(16-12-8-5-9-13-16)21(18)30-19(17)15-10-6-4-7-11-15/h4,6-7,10-11,16-17,19H,3,5,8-9,12-14H2,1-2H3
InChIKey
ZQEYUJNHTLLUJJ-UHFFFAOYSA-N
Compound name
ethyl 1-cyclohexyl-3-methyl-2,4-dioxo-7-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.19983 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.20711 200.1
[M+Na]+ 435.18905 205.5
[M-H]- 411.19255 207.6
[M+NH4]+ 430.23365 206.7
[M+K]+ 451.16299 202.1
[M+H-H2O]+ 395.19709 188.1
[M+HCOO]- 457.19803 211.6
[M+CH3COO]- 471.21368 226.3
[M+Na-2H]- 433.17450 198.9
[M]+ 412.19928 199.1
[M]- 412.20038 199.1
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.