CID 6861419

Benzaldehyde semicarbazone

Structural Information

Molecular Formula
C8H9N3O
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)N
InChI
InChI=1S/C8H9N3O/c9-8(12)11-10-6-7-4-2-1-3-5-7/h1-6H,(H3,9,11,12)/b10-6+
InChIKey
AKGUXECGGCUDCV-UXBLZVDNSA-N
Compound name
[(E)-benzylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

178
Patents

163.07455 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 132.3
[M+Na]+ 186.063768 138.4
[M-H]- 162.067274 136.9
[M+NH4]+ 181.108373 152.3
[M+K]+ 202.037708 137.0
[M+H-H2O]+ 146.071810 125.4
[M+HCOO]- 208.072751 160.8
[M+CH3COO]- 222.088401 184.8
[M+Na-2H]- 184.049216 140.1
[M]+ 163.07400142 129.7
[M]- 163.07509858 129.7
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.