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 178.4
[M+Na]+ 369.13402 183.2
[M-H]- 345.13752 181.1
[M+NH4]+ 364.17862 184.0
[M+K]+ 385.10796 182.9
[M+H-H2O]+ 329.14206 173.3
[M+HCOO]- 391.14300 183.4
[M+CH3COO]- 405.15865 181.8
[M+Na-2H]- 367.11947 177.4
[M]+ 346.14425 180.5
[M]- 346.14535 180.5
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

patents stripe