CID 3003590

Nsc663783

Structural Information

Molecular Formula
C21H22N2O2
SMILES
CCN(CC)/C=C\1/C(=O)C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H22N2O2/c1-3-22(4-2)15-18-20(24)19(16-11-7-5-8-12-16)23(21(18)25)17-13-9-6-10-14-17/h5-15,19H,3-4H2,1-2H3/b18-15-
InChIKey
PMPGPTXYPGZLSW-SDXDJHTJSA-N
Compound name
(3Z)-3-(diethylaminomethylidene)-1,5-diphenylpyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.16812 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17540 181.0
[M+Na]+ 357.15734 187.4
[M-H]- 333.16084 190.7
[M+NH4]+ 352.20194 195.3
[M+K]+ 373.13128 182.3
[M+H-H2O]+ 317.16538 171.4
[M+HCOO]- 379.16632 203.5
[M+CH3COO]- 393.18197 216.0
[M+Na-2H]- 355.14279 180.0
[M]+ 334.16757 181.1
[M]- 334.16867 181.1
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.