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

1
Patents

177.09021 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.097486 137.9
[M+Na]+ 200.079428 143.3
[M-H]- 176.082934 142.4
[M+NH4]+ 195.124033 157.2
[M+K]+ 216.053368 142.2
[M+H-H2O]+ 160.087470 130.9
[M+HCOO]- 222.088411 165.1
[M+CH3COO]- 236.104061 188.7
[M+Na-2H]- 198.064876 143.9
[M]+ 177.08966142 135.0
[M]- 177.09075858 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