CID 392107

Nsc691979

Structural Information

Molecular Formula
C24H21N3O2
SMILES
CN(C)C1=CC=C(C=C1)C=C2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H21N3O2/c1-25(2)19-15-13-18(14-16-19)17-22-23(28)26(20-9-5-3-6-10-20)27(24(22)29)21-11-7-4-8-12-21/h3-17H,1-2H3
InChIKey
OZJUNQHTXXJTFU-UHFFFAOYSA-N
Compound name
4-[[4-(dimethylamino)phenyl]methylidene]-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

383.1634 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.17068 193.9
[M+Na]+ 406.15262 200.9
[M-H]- 382.15612 205.5
[M+NH4]+ 401.19722 204.2
[M+K]+ 422.12656 194.4
[M+H-H2O]+ 366.16066 182.0
[M+HCOO]- 428.16160 215.0
[M+CH3COO]- 442.17725 203.7
[M+Na-2H]- 404.13807 192.7
[M]+ 383.16285 193.0
[M]- 383.16395 193.0
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.