CID 212703

Brn 0703601

Structural Information

Molecular Formula
C21H22N4O2
SMILES
CN1CCN(CC1)C=C2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H22N4O2/c1-22-12-14-23(15-13-22)16-19-20(26)24(17-8-4-2-5-9-17)25(21(19)27)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3
InChIKey
FXDPHHXNQWOMJU-UHFFFAOYSA-N
Compound name
4-[(4-methylpiperazin-1-yl)methylidene]-1,2-diphenylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1743 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18158 190.9
[M+Na]+ 385.16352 197.0
[M-H]- 361.16702 197.6
[M+NH4]+ 380.20812 198.7
[M+K]+ 401.13746 189.7
[M+H-H2O]+ 345.17156 178.0
[M+HCOO]- 407.17250 204.3
[M+CH3COO]- 421.18815 198.7
[M+Na-2H]- 383.14897 187.8
[M]+ 362.17375 185.1
[M]- 362.17485 185.1
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.