CID 1278166

329080-33-3

Structural Information

Molecular Formula
C23H21ClN2O2
SMILES
C1CN(CCN1C/C=C/C2=CC=CC=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)Cl
InChI
InChI=1S/C23H21ClN2O2/c24-20-21(23(28)19-11-5-4-10-18(19)22(20)27)26-15-13-25(14-16-26)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2/b9-6+
InChIKey
ZQHIIOYUWWNYQL-RMKNXTFCSA-N
Compound name
2-chloro-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.12915 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.13643 196.2
[M+Na]+ 415.11837 203.3
[M-H]- 391.12187 202.6
[M+NH4]+ 410.16297 205.9
[M+K]+ 431.09231 194.5
[M+H-H2O]+ 375.12641 184.6
[M+HCOO]- 437.12735 206.0
[M+CH3COO]- 451.14300 204.1
[M+Na-2H]- 413.10382 196.4
[M]+ 392.12860 194.2
[M]- 392.12970 194.2
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.