CID 29040754

N-cycloheptylquinolin-5-amine

Structural Information

Molecular Formula
C16H20N2
SMILES
C1CCCC(CC1)NC2=CC=CC3=C2C=CC=N3
InChI
InChI=1S/C16H20N2/c1-2-4-8-13(7-3-1)18-16-11-5-10-15-14(16)9-6-12-17-15/h5-6,9-13,18H,1-4,7-8H2
InChIKey
FYQWYCVXMLARKY-UHFFFAOYSA-N
Compound name
N-cycloheptylquinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.16264 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16992 154.8
[M+Na]+ 263.15186 158.0
[M-H]- 239.15536 160.8
[M+NH4]+ 258.19646 170.2
[M+K]+ 279.12580 157.5
[M+H-H2O]+ 223.15990 147.2
[M+HCOO]- 285.16084 173.3
[M+CH3COO]- 299.17649 165.0
[M+Na-2H]- 261.13731 161.2
[M]+ 240.16209 146.6
[M]- 240.16319 146.6
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.