CID 56689

93638-02-9

Structural Information

Molecular Formula
C17H18ClNO2
SMILES
C1COC2=C(O1)C=CC(=C2)CCC(C3=CC=C(C=C3)Cl)N
InChI
InChI=1S/C17H18ClNO2/c18-14-5-3-13(4-6-14)15(19)7-1-12-2-8-16-17(11-12)21-10-9-20-16/h2-6,8,11,15H,1,7,9-10,19H2
InChIKey
ZBBGGJJSYSHQJM-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1026 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10988 170.6
[M+Na]+ 326.09182 185.6
[M+NH4]+ 321.13642 180.1
[M+K]+ 342.06576 177.3
[M-H]- 302.09532 179.1
[M+Na-2H]- 324.07727 177.6
[M]+ 303.10205 175.6
[M]- 303.10315 175.6
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

No patent data available for this compound.