CID 13734022

60729-91-1

Structural Information

Molecular Formula
C14H17N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)CC2=C(NC(=O)N=C2)N
InChI
InChI=1S/C14H17N3O4/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-16-14(18)17-13(9)15/h5-7H,4H2,1-3H3,(H3,15,16,17,18)
InChIKey
OYDLMYVTTNXWRD-UHFFFAOYSA-N
Compound name
6-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

291.12192 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12920 166.2
[M+Na]+ 314.11114 175.9
[M-H]- 290.11464 169.6
[M+NH4]+ 309.15574 178.3
[M+K]+ 330.08508 172.2
[M+H-H2O]+ 274.11918 157.1
[M+HCOO]- 336.12012 187.6
[M+CH3COO]- 350.13577 203.1
[M+Na-2H]- 312.09659 169.6
[M]+ 291.12137 169.6
[M]- 291.12247 169.6
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

patents stripe