CID 11659487

6-[2-(3'-methoxybiphenyl-3-yl)ethyl]pyridin-2-amine

Structural Information

Molecular Formula
C20H20N2O
SMILES
COC1=CC=CC(=C1)C2=CC=CC(=C2)CCC3=NC(=CC=C3)N
InChI
InChI=1S/C20H20N2O/c1-23-19-9-3-7-17(14-19)16-6-2-5-15(13-16)11-12-18-8-4-10-20(21)22-18/h2-10,13-14H,11-12H2,1H3,(H2,21,22)
InChIKey
AEVBKBAFFJKFJZ-UHFFFAOYSA-N
Compound name
6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

304.15756 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.164836 173.9
[M+Na]+ 327.146778 181.0
[M-H]- 303.150284 181.7
[M+NH4]+ 322.191383 186.6
[M+K]+ 343.120718 174.9
[M+H-H2O]+ 287.154820 163.6
[M+HCOO]- 349.155761 196.7
[M+CH3COO]- 363.171411 184.7
[M+Na-2H]- 325.132226 178.4
[M]+ 304.15701142 173.6
[M]- 304.15810858 173.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe