CID 29298

18833-75-5

Structural Information

Molecular Formula
C19H27N3
SMILES
CN(C)CCCNC1=C2CCCCCC2=NC3=CC=CC=C31
InChI
InChI=1S/C19H27N3/c1-22(2)14-8-13-20-19-15-9-4-3-5-11-17(15)21-18-12-7-6-10-16(18)19/h6-7,10,12H,3-5,8-9,11,13-14H2,1-2H3,(H,20,21)
InChIKey
MSNSHZJXNNLNOS-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.2205 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.22778 171.8
[M+Na]+ 320.20972 181.8
[M+NH4]+ 315.25432 180.2
[M+K]+ 336.18366 174.7
[M-H]- 296.21322 176.2
[M+Na-2H]- 318.19517 177.4
[M]+ 297.21995 174.5
[M]- 297.22105 174.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.