CID 129812

70133-85-6

Structural Information

Molecular Formula
C19H23ClN2O2
SMILES
CC(CN1C2=CC=CC=C2OCOC3=C1C=C(C=C3)Cl)CN(C)C
InChI
InChI=1S/C19H23ClN2O2/c1-14(11-21(2)3)12-22-16-6-4-5-7-18(16)23-13-24-19-9-8-15(20)10-17(19)22/h4-10,14H,11-13H2,1-3H3
InChIKey
SQODSURYUNVIBL-UHFFFAOYSA-N
Compound name
3-(3-chlorobenzo[d][1,3,6]benzodioxazocin-5-yl)-N,N,2-trimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

49
Patents

346.1448 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15208 173.7
[M+Na]+ 369.13402 178.2
[M+NH4]+ 364.17862 176.4
[M+K]+ 385.10796 176.0
[M-H]- 345.13752 175.7
[M+Na-2H]- 367.11947 175.3
[M]+ 346.14425 175.0
[M]- 346.14535 175.0
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