CID 989521

429653-73-6

Structural Information

Molecular Formula
C24H20N2O3
SMILES
CC1=CC(=CC=C1)COC2=CC=CC(=C2)/C=C/3\C(=O)NN(C3=O)C4=CC=CC=C4
InChI
InChI=1S/C24H20N2O3/c1-17-7-5-9-19(13-17)16-29-21-12-6-8-18(14-21)15-22-23(27)25-26(24(22)28)20-10-3-2-4-11-20/h2-15H,16H2,1H3,(H,25,27)/b22-15+
InChIKey
ITMLWGWTDWJSRZ-PXLXIMEGSA-N
Compound name
(4E)-4-[[3-[(3-methylphenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

384.1474 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15468 193.8
[M+Na]+ 407.13662 201.0
[M-H]- 383.14012 202.7
[M+NH4]+ 402.18122 203.0
[M+K]+ 423.11056 193.1
[M+H-H2O]+ 367.14466 182.6
[M+HCOO]- 429.14560 212.0
[M+CH3COO]- 443.16125 202.8
[M+Na-2H]- 405.12207 192.3
[M]+ 384.14685 191.9
[M]- 384.14795 191.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe