CID 3390945

1,2,3,4,12,12a-hexahydro-12-hydroxy-12-ph-pyrido(1,2-b)(2)benzazepin-6(11h)-one

Structural Information

Molecular Formula
C20H21NO2
SMILES
C1CCN2C(C1)C(CC3=CC=CC=C3C2=O)(C4=CC=CC=C4)O
InChI
InChI=1S/C20H21NO2/c22-19-17-11-5-4-8-15(17)14-20(23,16-9-2-1-3-10-16)18-12-6-7-13-21(18)19/h1-5,8-11,18,23H,6-7,12-14H2
InChIKey
IEJDCBQAEWNQAY-UHFFFAOYSA-N
Compound name
6-hydroxy-6-phenyl-5,6a,7,8,9,10-hexahydropyrido[1,2-b][2]benzazepin-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.15723 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16451 174.3
[M+Na]+ 330.14645 179.7
[M-H]- 306.14995 180.3
[M+NH4]+ 325.19105 189.7
[M+K]+ 346.12039 177.2
[M+H-H2O]+ 290.15449 166.5
[M+HCOO]- 352.15543 187.8
[M+CH3COO]- 366.17108 183.4
[M+Na-2H]- 328.13190 178.8
[M]+ 307.15668 166.6
[M]- 307.15778 166.6
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

No patent data available for this compound.