CID 77140

3589-22-8

Structural Information

Molecular Formula
C19H22Cl2N2
SMILES
CN(C)CCCN1C2=C(CCC3=C1C=C(C=C3)Cl)C=CC(=C2)Cl
InChI
InChI=1S/C19H22Cl2N2/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/h6-9,12-13H,3-5,10-11H2,1-2H3
InChIKey
ZRLHYTJLNUJZLB-UHFFFAOYSA-N
Compound name
3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

348.116 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.12328 176.8
[M+Na]+ 371.10522 190.7
[M+NH4]+ 366.14982 186.0
[M+K]+ 387.07916 182.0
[M-H]- 347.10872 181.1
[M+Na-2H]- 369.09067 183.1
[M]+ 348.11545 180.8
[M]- 348.11655 180.8
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.