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 184.2
[M+Na]+ 372.13186 189.9
[M-H]- 348.13536 192.8
[M+NH4]+ 367.17646 192.4
[M+K]+ 388.10580 184.8
[M+H-H2O]+ 332.13990 172.3
[M+HCOO]- 394.14084 198.7
[M+CH3COO]- 408.15649 192.9
[M+Na-2H]- 370.11731 183.0
[M]+ 349.14209 179.2
[M]- 349.14319 179.2
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.