CID 210078

20904-21-6

Structural Information

Molecular Formula
C15H22N2O
SMILES
CN(C)CCCN1CCC2=CC=CC=C2CC1=O
InChI
InChI=1S/C15H22N2O/c1-16(2)9-5-10-17-11-8-13-6-3-4-7-14(13)12-15(17)18/h3-4,6-7H,5,8-12H2,1-2H3
InChIKey
TVBRQFBTVIRGOE-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]-2,5-dihydro-1H-3-benzazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.17322 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 156.1
[M+Na]+ 269.16244 165.8
[M+NH4]+ 264.20704 163.7
[M+K]+ 285.13638 160.3
[M-H]- 245.16594 158.7
[M+Na-2H]- 267.14789 161.3
[M]+ 246.17267 158.1
[M]- 246.17377 158.1
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

No patent data available for this compound.