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]+ 351.170336 178.7
[M+Na]+ 373.152278 185.1
[M-H]- 349.155784 181.8
[M+NH4]+ 368.196883 198.0
[M+K]+ 389.126218 179.1
[M+H-H2O]+ 333.160320 171.2
[M+HCOO]- 395.161261 182.2
[M+CH3COO]- 409.176911 186.4
[M+Na-2H]- 371.137726 180.0
[M]+ 350.16251142 175.8
[M]- 350.16360858 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.