CID 200423

21,22-dihydrostrychnidine

Structural Information

Molecular Formula
C21H26N2O
SMILES
C1CN2[C@H]3[C@@H]4[C@H]1OCC[C@H]5[C@@H]4C[C@H]6C3(CCN6C5)C7=CC=CC=C72
InChI
InChI=1S/C21H26N2O/c1-2-4-16-15(3-1)21-7-9-22-12-13-6-10-24-17-5-8-23(16)20(21)19(17)14(13)11-18(21)22/h1-4,13-14,17-20H,5-12H2/t13-,14+,17+,18+,19+,20+,21?/m1/s1
InChIKey
KZTJNVKGHFKUCI-JUCGOJCYSA-N
Compound name
(4S,4aS,5aS,13aS,15aS,15bR)-2,3,4,4a,5,5a,7,8,13a,14,15,15a,15b,16-tetradecahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 173.3
[M+Na]+ 345.19372 181.9
[M+NH4]+ 340.23832 185.3
[M+K]+ 361.16766 177.2
[M-H]- 321.19722 175.8
[M+Na-2H]- 343.17917 170.5
[M]+ 322.20395 175.4
[M]- 322.20505 175.4
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.