CID 28161

1,4-dibenzoylsemicarbazide

Structural Information

Molecular Formula
C15H13N3O3
SMILES
C1=CC=C(C=C1)C(=O)NC(=O)NNC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H13N3O3/c19-13(11-7-3-1-4-8-11)16-15(21)18-17-14(20)12-9-5-2-6-10-12/h1-10H,(H,17,20)(H2,16,18,19,21)
InChIKey
NHXXLEBCTOQKJS-UHFFFAOYSA-N
Compound name
N-(benzamidocarbamoyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0957 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.102976 163.5
[M+Na]+ 306.084918 167.1
[M-H]- 282.088424 169.8
[M+NH4]+ 301.129523 177.4
[M+K]+ 322.058858 164.6
[M+H-H2O]+ 266.092960 154.7
[M+HCOO]- 328.093901 188.9
[M+CH3COO]- 342.109551 203.4
[M+Na-2H]- 304.070366 168.7
[M]+ 283.09515142 160.6
[M]- 283.09624858 160.6
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

No patent data available for this compound.