CID 218456

Brn 0697831

Structural Information

Molecular Formula
C22H18N4O
SMILES
COC1=CC=C(C=C1)N=NC2=C(N(N=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H18N4O/c1-27-20-14-12-18(13-15-20)24-25-21-16-23-26(19-10-6-3-7-11-19)22(21)17-8-4-2-5-9-17/h2-16H,1H3
InChIKey
JRXAEEROXYPVSW-UHFFFAOYSA-N
Compound name
(1,5-diphenylpyrazol-4-yl)-(4-methoxyphenyl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.14807 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15535 183.8
[M+Na]+ 377.13729 191.4
[M-H]- 353.14079 196.7
[M+NH4]+ 372.18189 195.5
[M+K]+ 393.11123 185.6
[M+H-H2O]+ 337.14533 171.1
[M+HCOO]- 399.14627 211.3
[M+CH3COO]- 413.16192 195.1
[M+Na-2H]- 375.12274 189.3
[M]+ 354.14752 186.0
[M]- 354.14862 186.0
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.