CID 5371921

Acetophenone semicarbazone

Structural Information

Molecular Formula
C9H11N3O
SMILES
C/C(=N/NC(=O)N)/C1=CC=CC=C1
InChI
InChI=1S/C9H11N3O/c1-7(11-12-9(10)13)8-5-3-2-4-6-8/h2-6H,1H3,(H3,10,12,13)/b11-7-
InChIKey
CPXYGYOMIMOSCX-XFFZJAGNSA-N
Compound name
[(Z)-1-phenylethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

177.09021 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 139.1
[M+Na]+ 200.07943 148.4
[M+NH4]+ 195.12403 146.6
[M+K]+ 216.05337 143.3
[M-H]- 176.08293 142.1
[M+Na-2H]- 198.06488 145.5
[M]+ 177.08966 140.8
[M]- 177.09076 140.8
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

patents stripe