CID 3052832

Brn 0489793

Structural Information

Molecular Formula
C19H22N2O
SMILES
CN(C)CCCC1C2=CC=CC=C2C(=O)NC3=CC=CC=C13
InChI
InChI=1S/C19H22N2O/c1-21(2)13-7-11-14-15-8-3-4-10-17(15)19(22)20-18-12-6-5-9-16(14)18/h3-6,8-10,12,14H,7,11,13H2,1-2H3,(H,20,22)
InChIKey
UZYMNVWKDGRGRM-UHFFFAOYSA-N
Compound name
11-[3-(dimethylamino)propyl]-5,11-dihydrobenzo[c][1]benzazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

294.17322 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 168.9
[M+Na]+ 317.16244 180.3
[M+NH4]+ 312.20704 176.7
[M+K]+ 333.13638 173.6
[M-H]- 293.16594 172.1
[M+Na-2H]- 315.14789 174.4
[M]+ 294.17267 171.5
[M]- 294.17377 171.5
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.