CID 6441602

Unii-5qd6m7upg6

Structural Information

Molecular Formula
C19H19ClN2
SMILES
CN(C)CC/C=C/1\C2=CC=CC=C2C=NC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C19H19ClN2/c1-22(2)11-5-8-17-16-7-4-3-6-14(16)13-21-19-10-9-15(20)12-18(17)19/h3-4,6-10,12-13H,5,11H2,1-2H3/b17-8+
InChIKey
KGRYJYZBJQLPFW-CAOOACKPSA-N
Compound name
(3E)-3-(2-chlorobenzo[c][1]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

310.1237 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13098 170.4
[M+Na]+ 333.11292 184.5
[M+NH4]+ 328.15752 179.5
[M+K]+ 349.08686 175.9
[M-H]- 309.11642 174.9
[M+Na-2H]- 331.09837 177.8
[M]+ 310.12315 174.3
[M]- 310.12425 174.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe