CID 205602

18300-60-2

Structural Information

Molecular Formula
C21H24N2O2
SMILES
C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CCN4CCOCC4
InChI
InChI=1S/C21H24N2O2/c24-21(11-12-22-13-15-25-16-14-22)23-19-7-3-1-5-17(19)9-10-18-6-2-4-8-20(18)23/h1-8H,9-16H2
InChIKey
FFJCFAKYCODHSP-UHFFFAOYSA-N
Compound name
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-morpholin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.18378 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19106 184.6
[M+Na]+ 359.17300 196.3
[M+NH4]+ 354.21760 192.0
[M+K]+ 375.14694 189.4
[M-H]- 335.17650 189.5
[M+Na-2H]- 357.15845 189.6
[M]+ 336.18323 187.7
[M]- 336.18433 187.7
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.