CID 77141

3589-23-9

Structural Information

Molecular Formula
C19H20Cl2N2
SMILES
CN(C)CCCN1C2=C(C=CC3=C1C=C(C=C3)Cl)C=CC(=C2)Cl
InChI
InChI=1S/C19H20Cl2N2/c1-22(2)10-3-11-23-18-12-16(20)8-6-14(18)4-5-15-7-9-17(21)13-19(15)23/h4-9,12-13H,3,10-11H2,1-2H3
InChIKey
SBKMXWMJQKSYIA-UHFFFAOYSA-N
Compound name
3-(2,9-dichlorobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.10034 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10762 176.1
[M+Na]+ 369.08956 190.9
[M+NH4]+ 364.13416 185.4
[M+K]+ 385.06350 181.9
[M-H]- 345.09306 180.6
[M+Na-2H]- 367.07501 183.2
[M]+ 346.09979 180.4
[M]- 346.10089 180.4
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.