CID 212695

Brn 0337903

Structural Information

Molecular Formula
C24H21N3O2
SMILES
CCOC1=CC=C(C=C1)N=CC2=C(NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H21N3O2/c1-2-29-21-15-13-19(14-16-21)25-17-22-23(18-9-5-3-6-10-18)26-27(24(22)28)20-11-7-4-8-12-20/h3-17,26H,2H2,1H3
InChIKey
CIQYCQQBQBIWSB-UHFFFAOYSA-N
Compound name
4-[(4-ethoxyphenyl)iminomethyl]-2,5-diphenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

383.1634 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.17068 195.1
[M+Na]+ 406.15262 211.6
[M+NH4]+ 401.19722 202.1
[M+K]+ 422.12656 203.5
[M-H]- 382.15612 202.9
[M+Na-2H]- 404.13807 207.0
[M]+ 383.16285 199.7
[M]- 383.16395 199.7
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

patents stripe