CID 55161

2h-1-benzopyran-3-methanamine, n-(2-phenylethyl)-, hydrochloride

Structural Information

Molecular Formula
C18H19NO
SMILES
CN(CCC1=CC=CC=C1)C2=CC3=CC=CC=C3OC2
InChI
InChI=1S/C18H19NO/c1-19(12-11-15-7-3-2-4-8-15)17-13-16-9-5-6-10-18(16)20-14-17/h2-10,13H,11-12,14H2,1H3
InChIKey
OBZODXOBOORBAO-UHFFFAOYSA-N
Compound name
N-methyl-N-(2-phenylethyl)-2H-chromen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.14667 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.153946 161.9
[M+Na]+ 288.135888 167.5
[M-H]- 264.139394 170.7
[M+NH4]+ 283.180493 178.0
[M+K]+ 304.109828 165.0
[M+H-H2O]+ 248.143930 153.1
[M+HCOO]- 310.144871 184.1
[M+CH3COO]- 324.160521 173.8
[M+Na-2H]- 286.121336 169.5
[M]+ 265.14612142 162.5
[M]- 265.14721858 162.5
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.