CID 120448

Brn 0488011

Structural Information

Molecular Formula
C18H20N2O
SMILES
CCN(CC)C1C2=CC=CC=C2C(=O)NC3=CC=CC=C13
InChI
InChI=1S/C18H20N2O/c1-3-20(4-2)17-13-9-5-6-10-14(13)18(21)19-16-12-8-7-11-15(16)17/h5-12,17H,3-4H2,1-2H3,(H,19,21)
InChIKey
NTDFCSNCGYXHRW-UHFFFAOYSA-N
Compound name
11-(diethylamino)-5,11-dihydrobenzo[c][1]benzazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.15756 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 164.5
[M+Na]+ 303.14678 176.1
[M+NH4]+ 298.19138 172.5
[M+K]+ 319.12072 169.6
[M-H]- 279.15028 167.8
[M+Na-2H]- 301.13223 170.3
[M]+ 280.15701 167.1
[M]- 280.15811 167.1
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

patents stripe