CID 207676

Brn 0427332

Structural Information

Molecular Formula
C19H21ClN2
SMILES
CN1C2=CC=CC=C2C=C(C3=C1C=C(C=C3)Cl)CCN(C)C
InChI
InChI=1S/C19H21ClN2/c1-21(2)11-10-14-12-15-6-4-5-7-18(15)22(3)19-13-16(20)8-9-17(14)19/h4-9,12-13H,10-11H2,1-3H3
InChIKey
BLFWOSZQDHZSTN-UHFFFAOYSA-N
Compound name
2-(2-chloro-11-methylbenzo[b][1]benzazepin-5-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

312.1393 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14658 171.1
[M+Na]+ 335.12852 185.5
[M+NH4]+ 330.17312 180.4
[M+K]+ 351.10246 177.2
[M-H]- 311.13202 175.9
[M+Na-2H]- 333.11397 178.4
[M]+ 312.13875 175.1
[M]- 312.13985 175.1
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

patents stripe