CID 84751

15006-14-1

Structural Information

Molecular Formula
C21H24N2O2
SMILES
C1CO[C@H]2CC(=O)N3[C@H]4[C@H]2[C@@H]5[C@H]1CN6CC[C@]4([C@@H]6C5)C7=CC=CC=C73
InChI
InChI=1S/C21H24N2O2/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/h1-4,12-13,16-17,19-20H,5-11H2/t12-,13+,16+,17+,19+,20+,21-/m1/s1
InChIKey
LUMNFZCZEDAQNJ-QDPSZFTISA-N
Compound name
(4S,4aS,5aS,8aR,13aS,15aS,15bR)-3,4,4a,5,5a,7,8,13a,15,15a,15b,16-dodecahydro-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

3
Patents

336.18378 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19106 175.7
[M+Na]+ 359.17300 184.2
[M+NH4]+ 354.21760 187.0
[M+K]+ 375.14694 180.0
[M-H]- 335.17650 177.6
[M+Na-2H]- 357.15845 172.3
[M]+ 336.18323 177.6
[M]- 336.18433 177.6
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

patents stripe