CID 503701

(2-methoxy-4-methyl-4,5-dihydropyrimidin-6-yl) 1,3-benzodioxole-5-carboxylate

Structural Information

Molecular Formula
C14H14N2O5
SMILES
CC1CC(=NC(=N1)OC)OC(=O)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C14H14N2O5/c1-8-5-12(16-14(15-8)18-2)21-13(17)9-3-4-10-11(6-9)20-7-19-10/h3-4,6,8H,5,7H2,1-2H3
InChIKey
SUXGSBHVXPLPRO-UHFFFAOYSA-N
Compound name
(2-methoxy-4-methyl-4,5-dihydropyrimidin-6-yl) 1,3-benzodioxole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.09027 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09755 163.5
[M+Na]+ 313.07949 172.1
[M-H]- 289.08299 170.1
[M+NH4]+ 308.12409 176.5
[M+K]+ 329.05343 172.4
[M+H-H2O]+ 273.08753 155.3
[M+HCOO]- 335.08847 181.2
[M+CH3COO]- 349.10412 198.1
[M+Na-2H]- 311.06494 167.8
[M]+ 290.08972 168.2
[M]- 290.09082 168.2
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.