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]+ 282.185256 167.6
[M+Na]+ 304.167198 172.7
[M-H]- 280.170704 174.7
[M+NH4]+ 299.211803 184.4
[M+K]+ 320.141138 168.9
[M+H-H2O]+ 264.175240 159.0
[M+HCOO]- 326.176181 187.5
[M+CH3COO]- 340.191831 178.4
[M+Na-2H]- 302.152646 175.4
[M]+ 281.17743142 166.2
[M]- 281.17852858 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