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 164.2
[M+Na]+ 303.14678 170.5
[M-H]- 279.15028 169.4
[M+NH4]+ 298.19138 180.1
[M+K]+ 319.12072 170.0
[M+H-H2O]+ 263.15482 157.7
[M+HCOO]- 325.15576 182.8
[M+CH3COO]- 339.17141 175.0
[M+Na-2H]- 301.13223 169.9
[M]+ 280.15701 161.6
[M]- 280.15811 161.6
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