CID 9584792

1-phenylethanone n-phenylsemicarbazone

Structural Information

Molecular Formula
C15H15N3O
SMILES
C/C(=N\NC(=O)NC1=CC=CC=C1)/C2=CC=CC=C2
InChI
InChI=1S/C15H15N3O/c1-12(13-8-4-2-5-9-13)17-18-15(19)16-14-10-6-3-7-11-14/h2-11H,1H3,(H2,16,18,19)/b17-12+
InChIKey
POAIDNLCHHSYAX-SFQUDFHCSA-N
Compound name
1-phenyl-3-[(E)-1-phenylethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

253.1215 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12878 157.7
[M+Na]+ 276.11072 161.9
[M-H]- 252.11422 165.3
[M+NH4]+ 271.15532 173.8
[M+K]+ 292.08466 158.9
[M+H-H2O]+ 236.11876 149.0
[M+HCOO]- 298.11970 185.0
[M+CH3COO]- 312.13535 202.6
[M+Na-2H]- 274.09617 164.5
[M]+ 253.12095 155.4
[M]- 253.12205 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.