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 202.8
[M+Na]+ 483.07909 211.6
[M-H]- 459.08259 216.3
[M+NH4]+ 478.12369 213.8
[M+K]+ 499.05303 198.4
[M+H-H2O]+ 443.08713 197.4
[M+HCOO]- 505.08807 224.5
[M+CH3COO]- 519.10372 213.7
[M+Na-2H]- 481.06454 205.8
[M]+ 460.08932 222.1
[M]- 460.09042 222.1
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.