CID 3058949

Brn 0731352

Structural Information

Molecular Formula
C32H29N3O2
SMILES
CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=NC4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C32H29N3O2/c1-2-3-24-32(29(25-16-8-4-9-17-25)33-26-18-10-5-11-19-26)30(36)34(27-20-12-6-13-21-27)35(31(32)37)28-22-14-7-15-23-28/h4-23H,2-3,24H2,1H3
InChIKey
ZLWQEPDUEDSALM-UHFFFAOYSA-N
Compound name
4-butyl-4-(C,N-diphenylcarbonimidoyl)-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.22598 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.23326 223.1
[M+Na]+ 510.21520 227.5
[M-H]- 486.21870 236.3
[M+NH4]+ 505.25980 229.7
[M+K]+ 526.18914 219.5
[M+H-H2O]+ 470.22324 208.3
[M+HCOO]- 532.22418 242.1
[M+CH3COO]- 546.23983 229.9
[M+Na-2H]- 508.20065 221.4
[M]+ 487.22543 221.5
[M]- 487.22653 221.5
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.