CID 218453

Brn 0283101

Structural Information

Molecular Formula
C21H16N4
SMILES
C1=CC=C(C=C1)C2=C(C=NN2C3=CC=CC=C3)N=NC4=CC=CC=C4
InChI
InChI=1S/C21H16N4/c1-4-10-17(11-5-1)21-20(24-23-18-12-6-2-7-13-18)16-22-25(21)19-14-8-3-9-15-19/h1-16H
InChIKey
MOXCDYWMLXRSCD-UHFFFAOYSA-N
Compound name
(1,5-diphenylpyrazol-4-yl)-phenyldiazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.13748 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14476 175.4
[M+Na]+ 347.12670 182.8
[M-H]- 323.13020 188.1
[M+NH4]+ 342.17130 188.1
[M+K]+ 363.10064 176.4
[M+H-H2O]+ 307.13474 163.0
[M+HCOO]- 369.13568 203.1
[M+CH3COO]- 383.15133 187.0
[M+Na-2H]- 345.11215 182.2
[M]+ 324.13693 175.5
[M]- 324.13803 175.5
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.