CID 2867685

303059-36-1

Structural Information

Molecular Formula
C29H38N4O4S2
SMILES
CC(=C)CN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3)C=C(C=C4)S(=O)(=O)N5CCN(CC5)CC(=C)C
InChI
InChI=1S/C29H38N4O4S2/c1-22(2)20-30-9-13-32(14-10-30)38(34,35)26-5-7-28-24(18-26)17-25-19-27(6-8-29(25)28)39(36,37)33-15-11-31(12-16-33)21-23(3)4/h5-8,18-19H,1,3,9-17,20-21H2,2,4H3
InChIKey
DHUVTRUTMZAIDK-UHFFFAOYSA-N
Compound name
1-(2-methylprop-2-enyl)-4-[[7-[4-(2-methylprop-2-enyl)piperazin-1-yl]sulfonyl-9H-fluoren-2-yl]sulfonyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.23346 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.24074 226.5
[M+Na]+ 593.22268 235.0
[M+NH4]+ 588.26728 230.3
[M+K]+ 609.19662 228.6
[M-H]- 569.22618 227.5
[M+Na-2H]- 591.20813 229.1
[M]+ 570.23291 228.6
[M]- 570.23401 228.6
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.