CID 3890515

329929-32-0

Structural Information

Molecular Formula
C21H21FN2O4
SMILES
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=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)15-6-10-17(11-7-15)28-12-14-4-8-16(22)9-5-14/h4-11,19H,3,12H2,1-2H3,(H2,23,24,26)
InChIKey
PIGWEYWMEXVIER-UHFFFAOYSA-N
Compound name
ethyl 4-[4-[(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 192.0
[M+Na]+ 407.13775 198.2
[M-H]- 383.14125 194.8
[M+NH4]+ 402.18235 199.0
[M+K]+ 423.11169 191.9
[M+H-H2O]+ 367.14579 180.4
[M+HCOO]- 429.14673 205.6
[M+CH3COO]- 443.16238 215.9
[M+Na-2H]- 405.12320 190.6
[M]+ 384.14798 189.7
[M]- 384.14908 189.7
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.