CID 24212525

853311-41-8

Structural Information

Molecular Formula
C18H17ClN2O5
SMILES
CC1=C(C(NC(=O)N1)C2=CC=C(O2)C3=CC(=C(C=C3)OC)Cl)C(=O)OC
InChI
InChI=1S/C18H17ClN2O5/c1-9-15(17(22)25-3)16(21-18(23)20-9)14-7-6-12(26-14)10-4-5-13(24-2)11(19)8-10/h4-8,16H,1-3H3,(H2,20,21,23)
InChIKey
UZICMDGWYAWUFT-UHFFFAOYSA-N
Compound name
methyl 4-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-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

376.0826 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.08988 185.7
[M+Na]+ 399.07182 194.7
[M-H]- 375.07532 191.7
[M+NH4]+ 394.11642 195.1
[M+K]+ 415.04576 189.9
[M+H-H2O]+ 359.07986 177.5
[M+HCOO]- 421.08080 197.0
[M+CH3COO]- 435.09645 211.5
[M+Na-2H]- 397.05727 183.4
[M]+ 376.08205 189.1
[M]- 376.08315 189.1
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.