CID 5710491

Dtxsid701321450

Structural Information

Molecular Formula
C14H16N4O3
SMILES
CC1=CN=C(NC1=O)N/N=C\C2=C(C(=CC=C2)OC)OC
InChI
InChI=1S/C14H16N4O3/c1-9-7-15-14(17-13(9)19)18-16-8-10-5-4-6-11(20-2)12(10)21-3/h4-8H,1-3H3,(H2,15,17,18,19)/b16-8-
InChIKey
ALGHQKIIYGSSDY-PXNMLYILSA-N
Compound name
2-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.12225 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12953 165.8
[M+Na]+ 311.11147 178.8
[M+NH4]+ 306.15607 171.4
[M+K]+ 327.08541 172.6
[M-H]- 287.11497 168.9
[M+Na-2H]- 309.09692 173.3
[M]+ 288.12170 168.3
[M]- 288.12280 168.3
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.