CID 99947

Nsc 277480

Structural Information

Molecular Formula
C20H19ClN2O
SMILES
C1CN(CCN1C=C2CC3=C(C2=O)C=CC=C3Cl)C4=CC=CC=C4
InChI
InChI=1S/C20H19ClN2O/c21-19-8-4-7-17-18(19)13-15(20(17)24)14-22-9-11-23(12-10-22)16-5-2-1-3-6-16/h1-8,14H,9-13H2
InChIKey
LMQPEFFOPZAEAT-UHFFFAOYSA-N
Compound name
4-chloro-2-[(4-phenylpiperazin-1-yl)methylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1186 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12588 182.7
[M+Na]+ 361.10782 190.2
[M-H]- 337.11132 189.5
[M+NH4]+ 356.15242 196.7
[M+K]+ 377.08176 181.8
[M+H-H2O]+ 321.11586 172.5
[M+HCOO]- 383.11680 194.2
[M+CH3COO]- 397.13245 192.1
[M+Na-2H]- 359.09327 182.0
[M]+ 338.11805 179.5
[M]- 338.11915 179.5
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.