CID 16077327

Chembl389619

Structural Information

Molecular Formula
C21H20N2O4
SMILES
CC1=C(N(C(=O)NC1=O)COCC2CC2)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C21H20N2O4/c1-13-18(19(24)17-8-4-6-15-5-2-3-7-16(15)17)23(21(26)22-20(13)25)12-27-11-14-9-10-14/h2-8,14H,9-12H2,1H3,(H,22,25,26)
InChIKey
IFYIVAHKOWAWBH-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethoxymethyl)-5-methyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.1423 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.14958 190.0
[M+Na]+ 387.13152 200.4
[M-H]- 363.13502 197.2
[M+NH4]+ 382.17612 195.4
[M+K]+ 403.10546 193.0
[M+H-H2O]+ 347.13956 180.0
[M+HCOO]- 409.14050 208.0
[M+CH3COO]- 423.15615 217.1
[M+Na-2H]- 385.11697 192.0
[M]+ 364.14175 194.8
[M]- 364.14285 194.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.