CID 25385

1-isochromanpropylamine, n,n-dimethyl-1-phenyl-, hydrochloride

Structural Information

Molecular Formula
C20H25NO
SMILES
CN(C)CCCC1(C2=CC=CC=C2CCO1)C3=CC=CC=C3
InChI
InChI=1S/C20H25NO/c1-21(2)15-8-14-20(18-10-4-3-5-11-18)19-12-7-6-9-17(19)13-16-22-20/h3-7,9-12H,8,13-16H2,1-2H3
InChIKey
RIZSFFYMJKBPTO-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(1-phenyl-3,4-dihydroisochromen-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

295.1936 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.200876 172.9
[M+Na]+ 318.182818 177.5
[M-H]- 294.186324 181.2
[M+NH4]+ 313.227423 189.6
[M+K]+ 334.156758 175.0
[M+H-H2O]+ 278.190860 163.8
[M+HCOO]- 340.191801 192.8
[M+CH3COO]- 354.207451 183.7
[M+Na-2H]- 316.168266 179.2
[M]+ 295.19305142 172.9
[M]- 295.19414858 172.9
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