CID 101682

(4ar,8s,13as,15as,15br)-8-hydroxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2h-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one

Structural Information

Molecular Formula
C21H22N2O3
SMILES
C1C=C2CN3C[C@H](C45C3C[C@@H]2[C@@H]6[C@@H]4N(C(=O)C[C@@H]6O1)C7=CC=CC=C57)O
InChI
InChI=1S/C21H22N2O3/c24-17-10-22-9-11-5-6-26-15-8-18(25)23-14-4-2-1-3-13(14)21(17)16(22)7-12(11)19(15)20(21)23/h1-5,12,15-17,19-20,24H,6-10H2/t12-,15-,16?,17+,19-,20-,21?/m0/s1
InChIKey
NEGSUDQOBLZTIP-SQCXDRCRSA-N
Compound name
(4aR,8S,13aS,15aS,15bR)-8-hydroxy-4a,5,5a,7,8,13a,15,15a,15b,16-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

350.16306 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17034 177.1
[M+Na]+ 373.15228 185.8
[M+NH4]+ 368.19688 187.6
[M+K]+ 389.12622 182.3
[M-H]- 349.15578 178.4
[M+Na-2H]- 371.13773 173.4
[M]+ 350.16251 178.8
[M]- 350.16361 178.8
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.