CID 54691225

5-cyano-2-pyridinesulfonamide, n-(3-(cyclopropyl (2,5-dihydro-4-hydroxy-2-oxo-5,5-dipropyl-3-furanyl)methyl)phenyl-

Structural Information

Molecular Formula
C26H29N3O5S
SMILES
CCCC1(C(=C(C(=O)O1)C(C2CC2)C3=CC(=CC=C3)NS(=O)(=O)C4=NC=C(C=C4)C#N)O)CCC
InChI
InChI=1S/C26H29N3O5S/c1-3-12-26(13-4-2)24(30)23(25(31)34-26)22(18-9-10-18)19-6-5-7-20(14-19)29-35(32,33)21-11-8-17(15-27)16-28-21/h5-8,11,14,16,18,22,29-30H,3-4,9-10,12-13H2,1-2H3
InChIKey
MEWNWWPRUFXRMA-UHFFFAOYSA-N
Compound name
5-cyano-N-[3-[cyclopropyl-(4-hydroxy-2-oxo-5,5-dipropylfuran-3-yl)methyl]phenyl]pyridine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.1828 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.19008 215.7
[M+Na]+ 518.17202 229.1
[M-H]- 494.17552 226.0
[M+NH4]+ 513.21662 219.9
[M+K]+ 534.14596 220.3
[M+H-H2O]+ 478.18006 204.9
[M+HCOO]- 540.18100 226.9
[M+CH3COO]- 554.19665 244.4
[M+Na-2H]- 516.15747 215.8
[M]+ 495.18225 219.4
[M]- 495.18335 219.4
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.