CID 9976892

720691-69-0

Structural Information

Molecular Formula
C23H27N3O2
SMILES
C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)OC4=NC=C(C=C4)N5CCCC5=O
InChI
InChI=1S/C23H27N3O2/c27-23-5-2-12-26(23)20-7-9-22(24-16-20)28-21-8-6-17-10-13-25(19-3-1-4-19)14-11-18(17)15-21/h6-9,15-16,19H,1-5,10-14H2
InChIKey
YFRBKEVUUCQYOW-UHFFFAOYSA-N
Compound name
1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-yl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

371
Patents

377.21033 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21761 189.5
[M+Na]+ 400.19955 192.4
[M-H]- 376.20305 198.2
[M+NH4]+ 395.24415 192.8
[M+K]+ 416.17349 192.0
[M+H-H2O]+ 360.20759 174.0
[M+HCOO]- 422.20853 201.5
[M+CH3COO]- 436.22418 196.4
[M+Na-2H]- 398.18500 187.2
[M]+ 377.20978 190.4
[M]- 377.21088 190.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe