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]+ 296.20088 172.9
[M+Na]+ 318.18282 177.5
[M-H]- 294.18632 181.2
[M+NH4]+ 313.22742 189.6
[M+K]+ 334.15676 175.0
[M+H-H2O]+ 278.19086 163.8
[M+HCOO]- 340.19180 192.8
[M+CH3COO]- 354.20745 183.7
[M+Na-2H]- 316.16827 179.2
[M]+ 295.19305 172.9
[M]- 295.19415 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