CID 3054023

Dtxsid90990961

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]+ 369.180876 183.2
[M+Na]+ 391.162818 189.4
[M-H]- 367.166324 184.9
[M+NH4]+ 386.207423 202.9
[M+K]+ 407.136758 183.0
[M+H-H2O]+ 351.170860 175.2
[M+HCOO]- 413.171801 183.9
[M+CH3COO]- 427.187451 190.0
[M+Na-2H]- 389.148266 184.6
[M]+ 368.17305142 179.3
[M]- 368.17414858 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.