CID 9576646

Nicotinaldehyde semicarbazone

Structural Information

Molecular Formula
C7H8N4O
SMILES
C1=CC(=CN=C1)/C=N/NC(=O)N
InChI
InChI=1S/C7H8N4O/c8-7(12)11-10-5-6-2-1-3-9-4-6/h1-5H,(H3,8,11,12)/b10-5+
InChIKey
HQOXNAZTHRZSNQ-BJMVGYQFSA-N
Compound name
[(E)-pyridin-3-ylmethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.06981 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07709 133.2
[M+Na]+ 187.05903 142.9
[M+NH4]+ 182.10363 140.2
[M+K]+ 203.03297 137.9
[M-H]- 163.06253 135.5
[M+Na-2H]- 185.04448 140.1
[M]+ 164.06926 134.7
[M]- 164.07036 134.7
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.