CID 2853338

Tetramethylammonium methoxide

Structural Information

Molecular Formula
C27H26ClN3O2
SMILES
C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H26ClN3O2/c28-22-11-13-23(14-12-22)31-25(32)19-24(27(31)33)29-15-17-30(18-16-29)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,24,26H,15-19H2
InChIKey
WDNPRAKRASINBZ-UHFFFAOYSA-N
Compound name
3-(4-benzhydrylpiperazin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

459.17136 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.17864 213.5
[M+Na]+ 482.16058 217.8
[M-H]- 458.16408 223.5
[M+NH4]+ 477.20518 218.6
[M+K]+ 498.13452 209.2
[M+H-H2O]+ 442.16862 199.4
[M+HCOO]- 504.16956 221.3
[M+CH3COO]- 518.18521 219.5
[M+Na-2H]- 480.14603 207.9
[M]+ 459.17081 208.9
[M]- 459.17191 208.9
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

patents stripe