CID 4356977

4-((2-bromophenyl)diazenyl)-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one

Structural Information

Molecular Formula
C16H13BrN4O
SMILES
CC1=NN(C(=O)C1N=NC2=CC=CC=C2Br)C3=CC=CC=C3
InChI
InChI=1S/C16H13BrN4O/c1-11-15(19-18-14-10-6-5-9-13(14)17)16(22)21(20-11)12-7-3-2-4-8-12/h2-10,15H,1H3
InChIKey
CEZQOOQUIGTPAI-UHFFFAOYSA-N
Compound name
4-[(2-bromophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.02728 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.03456 171.8
[M+Na]+ 379.01650 183.6
[M-H]- 355.02000 184.4
[M+NH4]+ 374.06110 188.3
[M+K]+ 394.99044 171.6
[M+H-H2O]+ 339.02454 167.9
[M+HCOO]- 401.02548 196.5
[M+CH3COO]- 415.04113 185.9
[M+Na-2H]- 377.00195 177.5
[M]+ 356.02673 191.7
[M]- 356.02783 191.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.