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 229.5
[M+Na]+ 601.11862 231.2
[M-H]- 577.12212 237.5
[M+NH4]+ 596.16322 228.1
[M+K]+ 617.09256 225.6
[M+H-H2O]+ 561.12666 218.4
[M+HCOO]- 623.12760 235.8
[M+CH3COO]- 637.14325 251.4
[M+Na-2H]- 599.10407 233.9
[M]+ 578.12885 231.3
[M]- 578.12995 231.3
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.