CID 212696

2-pyrazolin-5-one, 4-(((2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)amino)methylene)-1,3-diphenyl-

Structural Information

Molecular Formula
C27H23N5O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(NN(C3=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H23N5O2/c1-19-24(27(34)32(30(19)2)22-16-10-5-11-17-22)28-18-23-25(20-12-6-3-7-13-20)29-31(26(23)33)21-14-8-4-9-15-21/h3-18,29H,1-2H3
InChIKey
QAXBGYIOOGQVNF-UHFFFAOYSA-N
Compound name
1,5-dimethyl-4-[(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)methylideneamino]-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.18518 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.19246 209.8
[M+Na]+ 472.17440 220.6
[M-H]- 448.17790 222.8
[M+NH4]+ 467.21900 216.1
[M+K]+ 488.14834 211.2
[M+H-H2O]+ 432.18244 196.9
[M+HCOO]- 494.18338 232.3
[M+CH3COO]- 508.19903 219.3
[M+Na-2H]- 470.15985 208.1
[M]+ 449.18463 212.8
[M]- 449.18573 212.8
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.