CID 3051694

4-morpholinesulfonamide, n-(((8-beta)-6-methylergolin-8-yl)methyl)-

Structural Information

Molecular Formula
C20H28N4O3S
SMILES
CN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CNS(=O)(=O)N5CCOCC5
InChI
InChI=1S/C20H28N4O3S/c1-23-13-14(11-22-28(25,26)24-5-7-27-8-6-24)9-17-16-3-2-4-18-20(16)15(12-21-18)10-19(17)23/h2-4,12,14,17,19,21-22H,5-11,13H2,1H3/t14-,17+,19+/m0/s1
InChIKey
JOWCPBGVKXZDSS-POZUXBRTSA-N
Compound name
N-[[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]morpholine-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

404.1882 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.19548 191.1
[M+Na]+ 427.17742 201.3
[M+NH4]+ 422.22202 198.2
[M+K]+ 443.15136 195.4
[M-H]- 403.18092 194.3
[M+Na-2H]- 425.16287 192.4
[M]+ 404.18765 193.7
[M]- 404.18875 193.7
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