CID 468664

Pyrimidine-4-carbohydrazide

Structural Information

Molecular Formula
C5H6N4O
SMILES
C1=CN=CN=C1C(=O)NN
InChI
InChI=1S/C5H6N4O/c6-9-5(10)4-1-2-7-3-8-4/h1-3H,6H2,(H,9,10)
InChIKey
NWTQBXDLKZTWAH-UHFFFAOYSA-N
Compound name
pyrimidine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

153
Patents

138.05415 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.061426 125.3
[M+Na]+ 161.043368 132.8
[M-H]- 137.046874 126.1
[M+NH4]+ 156.087973 143.2
[M+K]+ 177.017308 131.5
[M+H-H2O]+ 121.051410 117.7
[M+HCOO]- 183.052351 149.5
[M+CH3COO]- 197.068001 175.0
[M+Na-2H]- 159.028816 134.2
[M]+ 138.05360142 122.3
[M]- 138.05469858 122.3
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