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]+ 254.128776 157.7
[M+Na]+ 276.110718 161.9
[M-H]- 252.114224 165.3
[M+NH4]+ 271.155323 173.8
[M+K]+ 292.084658 158.9
[M+H-H2O]+ 236.118760 149.0
[M+HCOO]- 298.119701 185.0
[M+CH3COO]- 312.135351 202.6
[M+Na-2H]- 274.096166 164.5
[M]+ 253.12095142 155.4
[M]- 253.12204858 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.