CID 60220

2h-1-benzopyran-6-methanamine, 3,4-dihydro-alpha-(phenylmethyl)-, hydrochloride

Structural Information

Molecular Formula
C17H19NO
SMILES
CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCCC3
InChI
InChI=1S/C17H19NO/c1-18(13-14-6-3-2-4-7-14)16-9-10-17-15(12-16)8-5-11-19-17/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3
InChIKey
HDCYLARWSZXAGY-UHFFFAOYSA-N
Compound name
N-benzyl-N-methyl-3,4-dihydro-2H-chromen-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.14667 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.153946 158.2
[M+Na]+ 276.135888 163.1
[M-H]- 252.139394 166.8
[M+NH4]+ 271.180493 174.7
[M+K]+ 292.109828 161.0
[M+H-H2O]+ 236.143930 149.6
[M+HCOO]- 298.144871 179.3
[M+CH3COO]- 312.160521 170.0
[M+Na-2H]- 274.121336 165.4
[M]+ 253.14612142 157.0
[M]- 253.14721858 157.0
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.