CID 51059994

882864-20-2

Structural Information

Molecular Formula
C24H24Cl2N2O4
SMILES
C=CCOC1=C(C=C(C=C1)Cl)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)OCC=C
InChI
InChI=1S/C24H24Cl2N2O4/c1-3-13-31-21-7-5-17(25)15-19(21)23(29)27-9-11-28(12-10-27)24(30)20-16-18(26)6-8-22(20)32-14-4-2/h3-8,15-16H,1-2,9-14H2
InChIKey
VLUZLVNSQRELLN-UHFFFAOYSA-N
Compound name
[4-(5-chloro-2-prop-2-enoxybenzoyl)piperazin-1-yl]-(5-chloro-2-prop-2-enoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.1113 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.11858 208.8
[M+Na]+ 497.10052 215.0
[M-H]- 473.10402 214.1
[M+NH4]+ 492.14512 215.0
[M+K]+ 513.07446 207.5
[M+H-H2O]+ 457.10856 198.5
[M+HCOO]- 519.10950 214.0
[M+CH3COO]- 533.12515 232.9
[M+Na-2H]- 495.08597 204.6
[M]+ 474.11075 212.6
[M]- 474.11185 212.6
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.