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 179.5
[M+Na]+ 359.17300 183.1
[M-H]- 335.17650 185.2
[M+NH4]+ 354.21760 189.7
[M+K]+ 375.14694 182.4
[M+H-H2O]+ 319.18104 169.9
[M+HCOO]- 381.18198 191.1
[M+CH3COO]- 395.19763 187.5
[M+Na-2H]- 357.15845 183.3
[M]+ 336.18323 173.5
[M]- 336.18433 173.5
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.