CID 3059942

77502-35-3

Structural Information

Molecular Formula
C28H26N4O6S2
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C(=O)NC(C2=CC=NC=C2)C(C3=CC=NC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)C
InChI
InChI=1S/C28H26N4O6S2/c1-39(35,36)23-7-3-21(4-8-23)27(33)31-25(19-11-15-29-16-12-19)26(20-13-17-30-18-14-20)32-28(34)22-5-9-24(10-6-22)40(2,37)38/h3-18,25-26H,1-2H3,(H,31,33)(H,32,34)
InChIKey
HYSQMNYAFPIVPG-UHFFFAOYSA-N
Compound name
4-methylsulfonyl-N-[2-[(4-methylsulfonylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.1294 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.13668 219.5
[M+Na]+ 601.11862 229.5
[M+NH4]+ 596.16322 221.9
[M+K]+ 617.09256 223.1
[M-H]- 577.12212 223.6
[M+Na-2H]- 599.10407 230.0
[M]+ 578.12885 222.7
[M]- 578.12995 222.7
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

No patent data available for this compound.