CID 207674

Brn 0427402

Structural Information

Molecular Formula
C19H21ClN2
SMILES
CN1C2=C(C=C(C=C2)Cl)C(=CC3=CC=CC=C31)CCN(C)C
InChI
InChI=1S/C19H21ClN2/c1-21(2)11-10-14-12-15-6-4-5-7-18(15)22(3)19-9-8-16(20)13-17(14)19/h4-9,12-13H,10-11H2,1-3H3
InChIKey
NRZJAFMHUSNTFA-UHFFFAOYSA-N
Compound name
2-(3-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 172.1
[M+Na]+ 335.12852 181.5
[M-H]- 311.13202 178.6
[M+NH4]+ 330.17312 188.8
[M+K]+ 351.10246 179.9
[M+H-H2O]+ 295.13656 165.3
[M+HCOO]- 357.13750 188.5
[M+CH3COO]- 371.15315 183.6
[M+Na-2H]- 333.11397 177.3
[M]+ 312.13875 174.6
[M]- 312.13985 174.6
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