CID 3014157

3003-38-1

Structural Information

Molecular Formula
C24H20N4O3
SMILES
CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H20N4O3/c1-17-22(23(29)28(27-17)21-10-6-3-7-11-21)26-25-20-14-12-19(13-15-20)24(30)31-16-18-8-4-2-5-9-18/h2-15,22H,16H2,1H3
InChIKey
AXWCPLZLTHSWBP-UHFFFAOYSA-N
Compound name
benzyl 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.15353 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.16081 198.7
[M+Na]+ 435.14275 205.0
[M-H]- 411.14625 211.6
[M+NH4]+ 430.18735 207.8
[M+K]+ 451.11669 200.0
[M+H-H2O]+ 395.15079 185.8
[M+HCOO]- 457.15173 223.8
[M+CH3COO]- 471.16738 232.1
[M+Na-2H]- 433.12820 200.6
[M]+ 412.15298 201.2
[M]- 412.15408 201.2
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.