CID 204531

Bs-27

Structural Information

Molecular Formula
C19H20N2
SMILES
CC(CC1=CC=CC=C1)NCC2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C19H20N2/c1-15(13-16-7-3-2-4-8-16)20-14-18-12-11-17-9-5-6-10-19(17)21-18/h2-12,15,20H,13-14H2,1H3
InChIKey
UOMUGDFKJXPOBX-UHFFFAOYSA-N
Compound name
1-phenyl-N-(quinolin-2-ylmethyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

276.16266 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.169936 165.6
[M+Na]+ 299.151878 171.2
[M-H]- 275.155384 170.9
[M+NH4]+ 294.196483 180.5
[M+K]+ 315.125818 165.4
[M+H-H2O]+ 259.159920 156.1
[M+HCOO]- 321.160861 186.7
[M+CH3COO]- 335.176511 176.2
[M+Na-2H]- 297.137326 172.8
[M]+ 276.16211142 164.5
[M]- 276.16320858 164.5
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.