CID 135454405

2-(cinnamylidenehydrazino)-4-hydroxy-6-methylpyrimidine

Structural Information

Molecular Formula
C14H14N4O
SMILES
CC1=CC(=O)NC(=N1)N/N=C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C14H14N4O/c1-11-10-13(19)17-14(16-11)18-15-9-5-8-12-6-3-2-4-7-12/h2-10H,1H3,(H2,16,17,18,19)/b8-5+,15-9+
InChIKey
PDBMAISMFGGOFJ-MSNJMMSUSA-N
Compound name
4-methyl-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

4
Patents

254.11676 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.124036 157.7
[M+Na]+ 277.105978 165.4
[M-H]- 253.109484 161.8
[M+NH4]+ 272.150583 171.3
[M+K]+ 293.079918 159.6
[M+H-H2O]+ 237.114020 148.1
[M+HCOO]- 299.114961 182.2
[M+CH3COO]- 313.130611 197.9
[M+Na-2H]- 275.091426 165.3
[M]+ 254.11621142 156.2
[M]- 254.11730858 156.2
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

patents stripe