CID 135462739

Akos034464200

Structural Information

Molecular Formula
C14H16N4O3
SMILES
CC1=CC(=O)NC(=N1)NN=CC2=C(C=C(C=C2)OC)OC
InChI
InChI=1S/C14H16N4O3/c1-9-6-13(19)17-14(16-9)18-15-8-10-4-5-11(20-2)7-12(10)21-3/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKey
UTJFKPVTBULLGV-UHFFFAOYSA-N
Compound name
2-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
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]+ 289.129526 165.1
[M+Na]+ 311.111468 174.0
[M-H]- 287.114974 170.0
[M+NH4]+ 306.156073 177.8
[M+K]+ 327.085408 170.1
[M+H-H2O]+ 271.119510 155.4
[M+HCOO]- 333.120451 189.8
[M+CH3COO]- 347.136101 206.3
[M+Na-2H]- 309.096916 171.3
[M]+ 288.12170142 168.1
[M]- 288.12279858 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.