CID 42055

Rmi 60902

Structural Information

Molecular Formula
C21H22N2O
SMILES
CN1CCN(CC1)CC2=CC3=CC=CC=C3C(=O)C4=CC=CC=C42
InChI
InChI=1S/C21H22N2O/c1-22-10-12-23(13-11-22)15-17-14-16-6-2-3-8-19(16)21(24)20-9-5-4-7-18(17)20/h2-9,14H,10-13,15H2,1H3
InChIKey
HZTNXIYSZPBCKT-UHFFFAOYSA-N
Compound name
9-[(4-methylpiperazin-1-yl)methyl]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

318.17322 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18050 178.1
[M+Na]+ 341.16244 192.7
[M+NH4]+ 336.20704 186.5
[M+K]+ 357.13638 184.3
[M-H]- 317.16594 183.0
[M+Na-2H]- 339.14789 185.7
[M]+ 318.17267 181.9
[M]- 318.17377 181.9
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.