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

0
Patents

276.16266 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16994 165.6
[M+Na]+ 299.15188 171.2
[M-H]- 275.15538 170.9
[M+NH4]+ 294.19648 180.5
[M+K]+ 315.12582 165.4
[M+H-H2O]+ 259.15992 156.1
[M+HCOO]- 321.16086 186.7
[M+CH3COO]- 335.17651 176.2
[M+Na-2H]- 297.13733 172.8
[M]+ 276.16211 164.5
[M]- 276.16321 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.