CID 195822

136078-58-5

Structural Information

Molecular Formula
C25H27N3O4S
SMILES
CS(=O)(=O)NC1=CC2=C(C=C1)OC3(CCN(CC3)[C@@H]4CCC5=C(C4)C=CC(=C5)C#N)CC2=O
InChI
InChI=1S/C25H27N3O4S/c1-33(30,31)27-20-5-7-24-22(14-20)23(29)15-25(32-24)8-10-28(11-9-25)21-6-4-18-12-17(16-26)2-3-19(18)13-21/h2-3,5,7,12,14,21,27H,4,6,8-11,13,15H2,1H3/t21-/m1/s1
InChIKey
IQLSBKXSEGGVPO-OAQYLSRUSA-N
Compound name
N-[1'-[(2R)-6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

465.17224 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.17952 207.9
[M+Na]+ 488.16146 218.7
[M+NH4]+ 483.20606 212.7
[M+K]+ 504.13540 205.4
[M-H]- 464.16496 206.2
[M+Na-2H]- 486.14691 210.6
[M]+ 465.17169 208.7
[M]- 465.17279 208.7
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