CID 3060203

Cycloocta(b)quinolin-12-amine, 6,7,8,9,10,11-hexahydro-n-butyl-

Structural Information

Molecular Formula
C19H26N2
SMILES
CCCCNC1=C2CCCCCCC2=NC3=CC=CC=C31
InChI
InChI=1S/C19H26N2/c1-2-3-14-20-19-15-10-6-4-5-7-12-17(15)21-18-13-9-8-11-16(18)19/h8-9,11,13H,2-7,10,12,14H2,1H3,(H,20,21)
InChIKey
QWZGRDQCCHUUKW-UHFFFAOYSA-N
Compound name
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.2096 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.21688 165.2
[M+Na]+ 305.19882 169.0
[M-H]- 281.20232 166.5
[M+NH4]+ 300.24342 172.5
[M+K]+ 321.17276 167.4
[M+H-H2O]+ 265.20686 160.2
[M+HCOO]- 327.20780 172.7
[M+CH3COO]- 341.22345 168.7
[M+Na-2H]- 303.18427 165.5
[M]+ 282.20905 163.7
[M]- 282.21015 163.7
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.