CID 276141

Nsc123395

Structural Information

Molecular Formula
C21H22N2O2
SMILES
C1COC2CC(=O)N3C4C2C5C1=CN6CCC4(C6C5)C7=CC=CC=C73
InChI
InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-4,11,13,16-17,19-20H,5-10H2
InChIKey
APRWPDMHMBLSMK-UHFFFAOYSA-N
Compound name
3,4a,5,5a,7,8,13a,15,15a,15b-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.16812 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17540 174.5
[M+Na]+ 357.15734 183.8
[M+NH4]+ 352.20194 185.8
[M+K]+ 373.13128 179.4
[M-H]- 333.16084 176.6
[M+Na-2H]- 355.14279 171.9
[M]+ 334.16757 176.6
[M]- 334.16867 176.6
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.