CID 8789

1,5-diphenylcarbazide

Structural Information

Molecular Formula

C₁₃H₁₄N₄O

SMILES

C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2

InChI

InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14-15H,(H2,16,17,18)

InChIKey

KSPIHGBHKVISFI-UHFFFAOYSA-N

Compound name

1,3-dianilinourea

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 118
References: 2900
Patents: 242.11676 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.12404	155.7
[M+Na]+	265.10598	165.8
[M+NH4]+	260.15058	163.4
[M+K]+	281.07992	159.1
[M-H]-	241.10948	161.7
[M+Na-2H]-	263.09143	165.2
[M]+	242.11621	158.5
[M]-	242.11731	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe