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 177.7
[M+Na]+ 369.08956 188.2
[M-H]- 345.09306 183.1
[M+NH4]+ 364.13416 193.7
[M+K]+ 385.06350 185.6
[M+H-H2O]+ 329.09760 170.7
[M+HCOO]- 391.09854 189.4
[M+CH3COO]- 405.11419 188.6
[M+Na-2H]- 367.07501 182.3
[M]+ 346.09979 181.3
[M]- 346.10089 181.3
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.