CID 62545

2,4-dihydro-4-[(2-methoxyphenyl)azo]-5-methyl-2-phenyl-3h-pyrazol-3-one

Structural Information

Molecular Formula
C17H16N4O2
SMILES
CC1=NN(C(=O)C1N=NC2=CC=CC=C2OC)C3=CC=CC=C3
InChI
InChI=1S/C17H16N4O2/c1-12-16(19-18-14-10-6-7-11-15(14)23-2)17(22)21(20-12)13-8-4-3-5-9-13/h3-11,16H,1-2H3
InChIKey
UXNFQAZIRFBOKO-UHFFFAOYSA-N
Compound name
4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

127
Patents

308.12732 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.134596 170.5
[M+Na]+ 331.116538 179.2
[M-H]- 307.120044 181.1
[M+NH4]+ 326.161143 185.0
[M+K]+ 347.090478 175.5
[M+H-H2O]+ 291.124580 159.7
[M+HCOO]- 353.125521 197.8
[M+CH3COO]- 367.141171 213.8
[M+Na-2H]- 329.101986 174.8
[M]+ 308.12677142 173.6
[M]- 308.12786858 173.6
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

patents stripe