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]+ 284.10298 163.5
[M+Na]+ 306.08492 167.1
[M-H]- 282.08842 169.8
[M+NH4]+ 301.12952 177.4
[M+K]+ 322.05886 164.6
[M+H-H2O]+ 266.09296 154.7
[M+HCOO]- 328.09390 188.9
[M+CH3COO]- 342.10955 203.4
[M+Na-2H]- 304.07037 168.7
[M]+ 283.09515 160.6
[M]- 283.09625 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.