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 170.5
[M+Na]+ 320.20972 173.9
[M-H]- 296.21322 175.8
[M+NH4]+ 315.25432 185.7
[M+K]+ 336.18366 174.0
[M+H-H2O]+ 280.21776 162.6
[M+HCOO]- 342.21870 189.3
[M+CH3COO]- 356.23435 180.0
[M+Na-2H]- 318.19517 176.1
[M]+ 297.21995 166.8
[M]- 297.22105 166.8
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.