CID 215690

36068-72-1

Structural Information

Molecular Formula
C21H27N3O
SMILES
CC1=CC2=C(C=C1)N=C3CCCCCC3=C2C(=O)N4CCN(CC4)C
InChI
InChI=1S/C21H27N3O/c1-15-8-9-19-17(14-15)20(16-6-4-3-5-7-18(16)22-19)21(25)24-12-10-23(2)11-13-24/h8-9,14H,3-7,10-13H2,1-2H3
InChIKey
XKLDYSDGQKJTIK-UHFFFAOYSA-N
Compound name
(4-methylpiperazin-1-yl)-(2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.21542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 185.1
[M+Na]+ 360.20464 196.5
[M+NH4]+ 355.24924 192.3
[M+K]+ 376.17858 189.7
[M-H]- 336.20814 188.4
[M+Na-2H]- 358.19009 189.4
[M]+ 337.21487 187.7
[M]- 337.21597 187.7
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.