CID 3041792

2-methanesulphonamidostrychnine

Structural Information

Molecular Formula
C22H25N3O4S
SMILES
CS(=O)(=O)NC1=CC2=C(C=C1)N3[C@@H]4C25CCN6[C@H]5C[C@@H]7[C@H]4[C@H](CC3=O)OCC=C7C6
InChI
InChI=1S/C22H25N3O4S/c1-30(27,28)23-13-2-3-16-15(8-13)22-5-6-24-11-12-4-7-29-17-10-19(26)25(16)21(22)20(17)14(12)9-18(22)24/h2-4,8,14,17-18,20-21,23H,5-7,9-11H2,1H3/t14-,17-,18-,20-,21-,22?/m0/s1
InChIKey
BAKAZMSNNRPLIY-VTGCWVNQSA-N
Compound name
N-[(4aR,5aS,13aS,15aS,15bR)-14-oxo-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-10-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.1566 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.163876 196.9
[M+Na]+ 450.145818 202.2
[M-H]- 426.149324 200.1
[M+NH4]+ 445.190423 214.0
[M+K]+ 466.119758 199.4
[M+H-H2O]+ 410.153860 191.6
[M+HCOO]- 472.154801 197.2
[M+CH3COO]- 486.170451 203.4
[M+Na-2H]- 448.131266 200.7
[M]+ 427.15605142 198.4
[M]- 427.15714858 198.4
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.