CID 204499

Ipk 17

Structural Information

Molecular Formula
C19H22N2O
SMILES
CN(C)CCC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31
InChI
InChI=1S/C19H22N2O/c1-20(2)14-13-19(22)21-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)21/h3-10H,11-14H2,1-2H3
InChIKey
MLUPYKODOKSLBI-UHFFFAOYSA-N
Compound name
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-(dimethylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.17322 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 168.0
[M+Na]+ 317.16244 173.2
[M-H]- 293.16594 174.0
[M+NH4]+ 312.20704 183.6
[M+K]+ 333.13638 173.6
[M+H-H2O]+ 277.17048 161.0
[M+HCOO]- 339.17142 186.7
[M+CH3COO]- 353.18707 178.5
[M+Na-2H]- 315.14789 173.1
[M]+ 294.17267 166.3
[M]- 294.17377 166.3
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

No patent data available for this compound.