CID 24208946

853315-32-9

Structural Information

Molecular Formula
C21H21FN2O4
SMILES
CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)OCC3=CC=C(C=C3)F)C
InChI
InChI=1S/C21H21FN2O4/c1-3-27-20(25)18-13(2)23-21(26)24-19(18)15-5-4-6-17(11-15)28-12-14-7-9-16(22)10-8-14/h4-11,19H,3,12H2,1-2H3,(H2,23,24,26)
InChIKey
MEFZHYQDVHWHLO-UHFFFAOYSA-N
Compound name
ethyl 4-[3-[(4-fluorophenyl)methoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.14853 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15581 194.6
[M+Na]+ 407.13775 207.0
[M+NH4]+ 402.18235 198.8
[M+K]+ 423.11169 200.5
[M-H]- 383.14125 196.2
[M+Na-2H]- 405.12320 200.0
[M]+ 384.14798 196.5
[M]- 384.14908 196.5
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.