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

2
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 137.9
[M+Na]+ 200.07943 143.3
[M-H]- 176.08293 142.4
[M+NH4]+ 195.12403 157.2
[M+K]+ 216.05337 142.2
[M+H-H2O]+ 160.08747 130.9
[M+HCOO]- 222.08841 165.1
[M+CH3COO]- 236.10406 188.7
[M+Na-2H]- 198.06488 143.9
[M]+ 177.08966 135.0
[M]- 177.09076 135.0
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