CID 213931

3-hydroxystrychnidin-10-one

Structural Information

Molecular Formula
C21H22N2O3
SMILES
C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2C61C7=C5C=C(C=C7)O
InChI
InChI=1S/C21H22N2O3/c24-12-1-2-14-15(7-12)23-18(25)9-16-19-13-8-17-21(14,20(19)23)4-5-22(17)10-11(13)3-6-26-16/h1-3,7,13,16-17,19-20,24H,4-6,8-10H2/t13-,16-,17-,19-,20-,21?/m0/s1
InChIKey
YKQVEYOJOBZATM-QMVMYWSFSA-N
Compound name
(4aR,5aS,13aS,15aS,15bR)-11-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
2
Annotation Hits

0
References

0
Patents

350.16306 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17034 178.7
[M+Na]+ 373.15228 185.1
[M-H]- 349.15578 181.8
[M+NH4]+ 368.19688 198.0
[M+K]+ 389.12622 179.1
[M+H-H2O]+ 333.16032 171.2
[M+HCOO]- 395.16126 182.2
[M+CH3COO]- 409.17691 186.4
[M+Na-2H]- 371.13773 180.0
[M]+ 350.16251 175.8
[M]- 350.16361 175.8
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.