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 183.7
[M+Na]+ 360.20464 188.1
[M-H]- 336.20814 187.8
[M+NH4]+ 355.24924 194.3
[M+K]+ 376.17858 185.9
[M+H-H2O]+ 320.21268 173.0
[M+HCOO]- 382.21362 193.3
[M+CH3COO]- 396.22927 191.0
[M+Na-2H]- 358.19009 184.6
[M]+ 337.21487 175.8
[M]- 337.21597 175.8
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.