CID 96458

40640-31-1

Structural Information

Molecular Formula
C21H15ClN4
SMILES
C1=CC=C(C=C1)C2=C(C=NN2C3=CC=CC=C3)N=NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H15ClN4/c22-17-11-13-18(14-12-17)24-25-20-15-23-26(19-9-5-2-6-10-19)21(20)16-7-3-1-4-8-16/h1-15H
InChIKey
KWIXZSACCQQVEB-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(1,5-diphenylpyrazol-4-yl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.0985 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.10578 185.5
[M+Na]+ 381.08772 194.5
[M-H]- 357.09122 198.0
[M+NH4]+ 376.13232 197.9
[M+K]+ 397.06166 186.7
[M+H-H2O]+ 341.09576 173.1
[M+HCOO]- 403.09670 208.3
[M+CH3COO]- 417.11235 196.7
[M+Na-2H]- 379.07317 190.6
[M]+ 358.09795 188.4
[M]- 358.09905 188.4
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.