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 167.6
[M+Na]+ 304.16720 172.7
[M-H]- 280.17070 174.7
[M+NH4]+ 299.21180 184.4
[M+K]+ 320.14114 168.9
[M+H-H2O]+ 264.17524 159.0
[M+HCOO]- 326.17618 187.5
[M+CH3COO]- 340.19183 178.4
[M+Na-2H]- 302.15265 175.4
[M]+ 281.17743 166.2
[M]- 281.17853 166.2
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