CID 218454

4-((2,5-dimethoxyphenyl)azo)-1,5-diphenyl-1h-pyrazole

Structural Information

Molecular Formula
C23H20N4O2
SMILES
COC1=CC(=C(C=C1)OC)N=NC2=C(N(N=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H20N4O2/c1-28-19-13-14-22(29-2)20(15-19)25-26-21-16-24-27(18-11-7-4-8-12-18)23(21)17-9-5-3-6-10-17/h3-16H,1-2H3
InChIKey
OYWHQRQXYITTEZ-UHFFFAOYSA-N
Compound name
(2,5-dimethoxyphenyl)-(1,5-diphenylpyrazol-4-yl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.15863 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16591 192.0
[M+Na]+ 407.14785 199.7
[M-H]- 383.15135 205.2
[M+NH4]+ 402.19245 202.6
[M+K]+ 423.12179 194.5
[M+H-H2O]+ 367.15589 179.1
[M+HCOO]- 429.15683 219.2
[M+CH3COO]- 443.17248 203.0
[M+Na-2H]- 405.13330 196.2
[M]+ 384.15808 196.2
[M]- 384.15918 196.2
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.