CID 3033133

Rmi 60901

Structural Information

Molecular Formula
C20H19ClN2O
SMILES
CN1CCN(CC1)C2=C(C3=CC=CC=C3C(=O)C4=CC=CC=C42)Cl
InChI
InChI=1S/C20H19ClN2O/c1-22-10-12-23(13-11-22)19-15-7-3-5-9-17(15)20(24)16-8-4-2-6-14(16)18(19)21/h2-9H,10-13H2,1H3
InChIKey
UTJNNVKZGKELQS-UHFFFAOYSA-N
Compound name
9-chloro-10-(4-methylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1186 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12588 179.1
[M+Na]+ 361.10782 195.0
[M+NH4]+ 356.15242 187.9
[M+K]+ 377.08176 186.2
[M-H]- 337.11132 184.2
[M+Na-2H]- 359.09327 186.8
[M]+ 338.11805 183.4
[M]- 338.11915 183.4
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.