CID 24212593

853313-86-7

Structural Information

Molecular Formula
C18H17ClN2O4
SMILES
CC1=C(C=C(C=C1)C2=CC=C(O2)C3C(=C(NC(=O)N3)C)C(=O)OC)Cl
InChI
InChI=1S/C18H17ClN2O4/c1-9-4-5-11(8-12(9)19)13-6-7-14(25-13)16-15(17(22)24-3)10(2)20-18(23)21-16/h4-8,16H,1-3H3,(H2,20,21,23)
InChIKey
LXUFAOMQIIHATB-UHFFFAOYSA-N
Compound name
methyl 4-[5-(3-chloro-4-methylphenyl)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

360.08768 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.09496 183.6
[M+Na]+ 383.07690 192.9
[M-H]- 359.08040 189.6
[M+NH4]+ 378.12150 193.8
[M+K]+ 399.05084 187.3
[M+H-H2O]+ 343.08494 175.5
[M+HCOO]- 405.08588 194.7
[M+CH3COO]- 419.10153 209.2
[M+Na-2H]- 381.06235 181.1
[M]+ 360.08713 185.6
[M]- 360.08823 185.6
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.