CID 59152

Naphtho(2,3-b)-p-dioxin-2-methylamine, 2,3-dihydro-n-(2-chloroethyl)-n-methyl-, hydrochloride

Structural Information

Molecular Formula
C16H18ClNO2
SMILES
CN(CCCl)CC1COC2=CC3=CC=CC=C3C=C2O1
InChI
InChI=1S/C16H18ClNO2/c1-18(7-6-17)10-14-11-19-15-8-12-4-2-3-5-13(12)9-16(15)20-14/h2-5,8-9,14H,6-7,10-11H2,1H3
InChIKey
MGDNXHGADOQEOT-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,3-dihydrobenzo[g][1,4]benzodioxin-3-ylmethyl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1026 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10988 165.6
[M+Na]+ 314.09182 180.7
[M+NH4]+ 309.13642 175.9
[M+K]+ 330.06576 172.1
[M-H]- 290.09532 173.2
[M+Na-2H]- 312.07727 171.4
[M]+ 291.10205 170.5
[M]- 291.10315 170.5
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.