CID 207802

Brn 4023129

Structural Information

Molecular Formula
C24H21BrN4O
SMILES
CC1=NN(C(=C1N=NC2=CC=CC=C2Br)C3=CC=CC=C3)CC(C4=CC=CC=C4)O
InChI
InChI=1S/C24H21BrN4O/c1-17-23(27-26-21-15-9-8-14-20(21)25)24(19-12-6-3-7-13-19)29(28-17)16-22(30)18-10-4-2-5-11-18/h2-15,22,30H,16H2,1H3
InChIKey
YSPBKIFXJWKJSC-UHFFFAOYSA-N
Compound name
2-[4-[(2-bromophenyl)diazenyl]-3-methyl-5-phenylpyrazol-1-yl]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.08987 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.09715 205.5
[M+Na]+ 483.07909 211.2
[M+NH4]+ 478.12369 209.3
[M+K]+ 499.05303 209.4
[M-H]- 459.08259 211.9
[M+Na-2H]- 481.06454 213.0
[M]+ 460.08932 207.1
[M]- 460.09042 207.1
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.