CID 29302

18833-77-7

Structural Information

Molecular Formula
C19H26ClN3
SMILES
CN(C)CCCNC1=C2CCCCCC2=NC3=C1C=CC(=C3)Cl
InChI
InChI=1S/C19H26ClN3/c1-23(2)12-6-11-21-19-15-7-4-3-5-8-17(15)22-18-13-14(20)9-10-16(18)19/h9-10,13H,3-8,11-12H2,1-2H3,(H,21,22)
InChIKey
PDLKPICOUKFEQJ-UHFFFAOYSA-N
Compound name
N-(3-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.18152 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.18880 177.4
[M+Na]+ 354.17074 188.4
[M+NH4]+ 349.21534 186.0
[M+K]+ 370.14468 180.7
[M-H]- 330.17424 181.8
[M+Na-2H]- 352.15619 182.8
[M]+ 331.18097 180.5
[M]- 331.18207 180.5
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.