CID 54714126

5-amino-n-[3-[1-(4-hydroxy-6-oxo-2,2-diphenethyl-3h-pyran-5-yl)-2,2-dimethyl-propyl]phenyl]pyridine-2-sulfonamide

Structural Information

Molecular Formula
C37H41N3O5S
SMILES
CC(C)(C)C(C1=CC(=CC=C1)NS(=O)(=O)C2=NC=C(C=C2)N)C3=C(CC(OC3=O)(CCC4=CC=CC=C4)CCC5=CC=CC=C5)O
InChI
InChI=1S/C37H41N3O5S/c1-36(2,3)34(28-15-10-16-30(23-28)40-46(43,44)32-18-17-29(38)25-39-32)33-31(41)24-37(45-35(33)42,21-19-26-11-6-4-7-12-26)22-20-27-13-8-5-9-14-27/h4-18,23,25,34,40-41H,19-22,24,38H2,1-3H3
InChIKey
FECIOCANKOYOJB-UHFFFAOYSA-N
Compound name
5-amino-N-[3-[1-[4-hydroxy-6-oxo-2,2-bis(2-phenylethyl)-3H-pyran-5-yl]-2,2-dimethylpropyl]phenyl]pyridine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

639.2767 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 640.28398 253.9
[M+Na]+ 662.26592 255.2
[M-H]- 638.26942 264.7
[M+NH4]+ 657.31052 251.4
[M+K]+ 678.23986 250.4
[M+H-H2O]+ 622.27396 240.7
[M+HCOO]- 684.27490 261.2
[M+CH3COO]- 698.29055 267.2
[M+Na-2H]- 660.25137 255.4
[M]+ 639.27615 254.1
[M]- 639.27725 254.1
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.