CID 212702

Brn 1158915

Structural Information

Molecular Formula
C20H19N3O3
SMILES
C1COCCN1C=C2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H19N3O3/c24-19-18(15-21-11-13-26-14-12-21)20(25)23(17-9-5-2-6-10-17)22(19)16-7-3-1-4-8-16/h1-10,15H,11-14H2
InChIKey
RLOXCEFPQOFJDM-UHFFFAOYSA-N
Compound name
4-(morpholin-4-ylmethylidene)-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.14264 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.14992 184.1
[M+Na]+ 372.13186 198.0
[M+NH4]+ 367.17646 190.3
[M+K]+ 388.10580 192.6
[M-H]- 348.13536 190.6
[M+Na-2H]- 370.11731 191.6
[M]+ 349.14209 187.7
[M]- 349.14319 187.7
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

No patent data available for this compound.