CID 25387

1-isochromanpropylamine, n-methyl-1-phenyl-, hydrochloride

Structural Information

Molecular Formula
C19H23NO
SMILES
CNCCCC1(C2=CC=CC=C2CCO1)C3=CC=CC=C3
InChI
InChI=1S/C19H23NO/c1-20-14-7-13-19(17-9-3-2-4-10-17)18-11-6-5-8-16(18)12-15-21-19/h2-6,8-11,20H,7,12-15H2,1H3
InChIKey
KUKKDPOVPMJFRA-UHFFFAOYSA-N
Compound name
N-methyl-3-(1-phenyl-3,4-dihydroisochromen-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.17798 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18526 169.1
[M+Na]+ 304.16720 183.4
[M+NH4]+ 299.21180 180.4
[M+K]+ 320.14114 171.9
[M-H]- 280.17070 177.0
[M+Na-2H]- 302.15265 179.1
[M]+ 281.17743 173.7
[M]- 281.17853 173.7
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

patents stripe