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]+ 428.16388 193.4
[M+Na]+ 450.14582 199.9
[M+NH4]+ 445.19042 202.4
[M+K]+ 466.11976 195.7
[M-H]- 426.14932 193.7
[M+Na-2H]- 448.13127 189.9
[M]+ 427.15605 194.9
[M]- 427.15715 194.9
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.