CID 3109308

6528-22-9

Structural Information

Molecular Formula
C22H18N4O
SMILES
CC1=CC=C(C=C1)N=NC2=C(NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H18N4O/c1-16-12-14-18(15-13-16)23-24-21-20(17-8-4-2-5-9-17)25-26(22(21)27)19-10-6-3-7-11-19/h2-15,25H,1H3
InChIKey
SMSBYCMVWQOLIG-UHFFFAOYSA-N
Compound name
4-[(4-methylphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.14807 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15535 184.2
[M+Na]+ 377.13729 192.6
[M-H]- 353.14079 196.3
[M+NH4]+ 372.18189 195.5
[M+K]+ 393.11123 185.4
[M+H-H2O]+ 337.14533 172.2
[M+HCOO]- 399.14627 210.4
[M+CH3COO]- 413.16192 195.2
[M+Na-2H]- 375.12274 188.5
[M]+ 354.14752 184.4
[M]- 354.14862 184.4
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.