CID 102382

2-aminostrychnidin-10-one

Structural Information

Molecular Formula
C21H23N3O2
SMILES
C1CN2CC3=CCOC4CC(=O)N5C6[C@H]4[C@H]3C[C@H]2[C@@]61C7=C5C=CC(=C7)N
InChI
InChI=1S/C21H23N3O2/c22-12-1-2-15-14(7-12)21-4-5-23-10-11-3-6-26-16-9-18(25)24(15)20(21)19(16)13(11)8-17(21)23/h1-3,7,13,16-17,19-20H,4-6,8-10,22H2/t13-,16?,17-,19-,20?,21+/m0/s1
InChIKey
NRGHCWQGTHPFTE-XBPPHNHDSA-N
Compound name
(4aR,5aS,8aR,15bR)-10-amino-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

3
References

0
Patents

349.17902 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18630 177.5
[M+Na]+ 372.16824 185.7
[M+NH4]+ 367.21284 188.2
[M+K]+ 388.14218 182.0
[M-H]- 348.17174 179.6
[M+Na-2H]- 370.15369 174.1
[M]+ 349.17847 179.3
[M]- 349.17957 179.3
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

patents stripe