CID 467561

3-[4-[(2e)-2-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]phenyl]-4-phenyl-1h-1,2,4-triazol-5-one

Structural Information

Molecular Formula
C24H19N7O2
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=CC=C(C=C3)C4=NNC(=O)N4C5=CC=CC=C5
InChI
InChI=1S/C24H19N7O2/c1-16-21(23(32)31(29-16)20-10-6-3-7-11-20)26-25-18-14-12-17(13-15-18)22-27-28-24(33)30(22)19-8-4-2-5-9-19/h2-15,29H,1H3,(H,28,33)
InChIKey
QWRWCUKAXLEFHJ-UHFFFAOYSA-N
Compound name
3-[4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenyl]-4-phenyl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

437.16003 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.16731 201.6
[M+Na]+ 460.14925 211.8
[M-H]- 436.15275 213.6
[M+NH4]+ 455.19385 206.5
[M+K]+ 476.12319 202.7
[M+H-H2O]+ 420.15729 188.3
[M+HCOO]- 482.15823 224.8
[M+CH3COO]- 496.17388 210.8
[M+Na-2H]- 458.13470 203.5
[M]+ 437.15948 203.3
[M]- 437.16058 203.3
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.