CID 16758221

2724726-85-4

Structural Information

Molecular Formula
C19H21ClN2
SMILES
CN(C)CCCN1C2=CC=CC=C2C=CC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C19H21ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-11,14H,5,12-13H2,1-2H3
InChIKey
VSKOGDPXBVMJCT-UHFFFAOYSA-N
Compound name
3-(2-chlorobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1393 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14658 171.9
[M+Na]+ 335.12852 180.6
[M-H]- 311.13202 178.0
[M+NH4]+ 330.17312 188.4
[M+K]+ 351.10246 178.8
[M+H-H2O]+ 295.13656 164.9
[M+HCOO]- 357.13750 188.3
[M+CH3COO]- 371.15315 183.2
[M+Na-2H]- 333.11397 177.9
[M]+ 312.13875 174.0
[M]- 312.13985 174.0
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.