CID 3054023

70702-55-5

Structural Information

Molecular Formula
C21H24N2O4
SMILES
C1CN2CC3([C@@H]4C[C@H]2C15[C@@H]6[C@@H]4[C@H](CC(=O)N6C7=CC=CC=C57)OCC3O)O
InChI
InChI=1S/C21H24N2O4/c24-16-9-27-14-8-17(25)23-13-4-2-1-3-11(13)20-5-6-22-10-21(16,26)12(7-15(20)22)18(14)19(20)23/h1-4,12,14-16,18-19,24,26H,5-10H2/t12-,14+,15+,16?,18+,19+,20?,21?/m1/s1
InChIKey
OYIPDCACDVRUOK-JQDPZCNXSA-N
Compound name
(4aR,5aS,13aS,15aS,15bR)-3,4-dihydroxy-2,3,4a,5,5a,7,8,13a,15,15a,15b,16-dodecahydro4,6-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

368.1736 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18088 183.2
[M+Na]+ 391.16282 189.4
[M-H]- 367.16632 184.9
[M+NH4]+ 386.20742 202.9
[M+K]+ 407.13676 183.0
[M+H-H2O]+ 351.17086 175.2
[M+HCOO]- 413.17180 183.9
[M+CH3COO]- 427.18745 190.0
[M+Na-2H]- 389.14827 184.6
[M]+ 368.17305 179.3
[M]- 368.17415 179.3
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.