CID 13260378

88052-49-7

Structural Information

Molecular Formula
C19H23Cl2N3O2
SMILES
C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H23Cl2N3O2/c20-16-5-3-15(13-17(16)21)4-6-18(25)24-11-9-22(10-12-24)14-19(26)23-7-1-2-8-23/h3-6,13H,1-2,7-12,14H2/b6-4+
InChIKey
DCJTYFDFOZECNL-GQCTYLIASA-N
Compound name
(E)-3-(3,4-dichlorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.11673 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.12401 194.3
[M+Na]+ 418.10595 198.8
[M-H]- 394.10945 197.6
[M+NH4]+ 413.15055 203.8
[M+K]+ 434.07989 191.6
[M+H-H2O]+ 378.11399 183.8
[M+HCOO]- 440.11493 197.0
[M+CH3COO]- 454.13058 215.2
[M+Na-2H]- 416.09140 188.5
[M]+ 395.11618 191.3
[M]- 395.11728 191.3
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.