CID 420218

Nsc121849

Structural Information

Molecular Formula
C24H29N2O5
SMILES
C[N+]12CCC34C1(CC5C6C3N(C(=O)CC6OCC=C5C2)C7=CC(=C(C=C47)OC)OC)O
InChI
InChI=1S/C24H29N2O5/c1-26-6-5-23-15-8-17(29-2)18(30-3)9-16(15)25-20(27)10-19-21(22(23)25)14(11-24(23,26)28)13(12-26)4-7-31-19/h4,8-9,14,19,21-22,28H,5-7,10-12H2,1-3H3/q+1
InChIKey
NMDDWSIRDRACCC-UHFFFAOYSA-N
Compound name
5a-hydroxy-10,11-dimethoxy-6-methyl-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.20764 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.21492 198.0
[M+Na]+ 448.19686 205.0
[M-H]- 424.20036 201.2
[M+NH4]+ 443.24146 217.7
[M+K]+ 464.17080 193.9
[M+H-H2O]+ 408.20490 190.7
[M+HCOO]- 470.20584 199.6
[M+CH3COO]- 484.22149 204.5
[M+Na-2H]- 446.18231 202.2
[M]+ 425.20709 197.9
[M]- 425.20819 197.9
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.