CID 206928

28869-39-8

Structural Information

Molecular Formula
C18H24N2
SMILES
CCCCNC1=C2CCCCCC2=NC3=CC=CC=C31
InChI
InChI=1S/C18H24N2/c1-2-3-13-19-18-14-9-5-4-6-11-16(14)20-17-12-8-7-10-15(17)18/h7-8,10,12H,2-6,9,11,13H2,1H3,(H,19,20)
InChIKey
OOXMFORDZNYBNS-UHFFFAOYSA-N
Compound name
N-butyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.19394 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.201216 162.6
[M+Na]+ 291.183158 167.1
[M-H]- 267.186664 166.8
[M+NH4]+ 286.227763 178.7
[M+K]+ 307.157098 165.7
[M+H-H2O]+ 251.191200 155.6
[M+HCOO]- 313.192141 180.3
[M+CH3COO]- 327.207791 172.6
[M+Na-2H]- 289.168606 168.9
[M]+ 268.19339142 158.0
[M]- 268.19448858 158.0
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.