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 171.6
[M+Na]+ 345.19372 176.2
[M-H]- 321.19722 174.8
[M+NH4]+ 340.23832 192.2
[M+K]+ 361.16766 169.2
[M+H-H2O]+ 305.20176 162.8
[M+HCOO]- 367.20270 175.0
[M+CH3COO]- 381.21835 179.1
[M+Na-2H]- 343.17917 172.6
[M]+ 322.20395 165.9
[M]- 322.20505 165.9
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.