CID 204500

16488-05-4

Structural Information

Molecular Formula
C21H26N2O
SMILES
CCN(CC)CCC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31
InChI
InChI=1S/C21H26N2O/c1-3-22(4-2)16-15-21(24)23-19-11-7-5-9-17(19)13-14-18-10-6-8-12-20(18)23/h5-12H,3-4,13-16H2,1-2H3
InChIKey
RWWJDQTVNWRYOA-UHFFFAOYSA-N
Compound name
3-(diethylamino)-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2045 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.211776 177.0
[M+Na]+ 345.193718 181.3
[M-H]- 321.197224 182.6
[M+NH4]+ 340.238323 191.6
[M+K]+ 361.167658 181.3
[M+H-H2O]+ 305.201760 169.6
[M+HCOO]- 367.202701 195.0
[M+CH3COO]- 381.218351 216.9
[M+Na-2H]- 343.179166 181.1
[M]+ 322.20395142 176.0
[M]- 322.20504858 176.0
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.