CID 207675

30490-63-2

Structural Information

Molecular Formula
C19H21ClN2
SMILES
CN1C2=C(C=C(C=C2)Cl)C=C(C3=CC=CC=C31)CCN(C)C
InChI
InChI=1S/C19H21ClN2/c1-21(2)11-10-14-12-15-13-16(20)8-9-18(15)22(3)19-7-5-4-6-17(14)19/h4-9,12-13H,10-11H2,1-3H3
InChIKey
KTVIPXRHXPQUOO-UHFFFAOYSA-N
Compound name
2-(3-chloro-11-methylbenzo[b][1]benzazepin-6-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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

literature stripe

Patent stripe

patents stripe