CID 3060842

78311-83-8

Structural Information

Molecular Formula
C24H25N9O3S
SMILES
CC1=CC(=NC(=N1)N(CCC2=NNN=N2)S(=O)(=O)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)NC(=O)C)C
InChI
InChI=1S/C24H25N9O3S/c1-16-14-17(2)27-24(26-16)33(13-12-23-29-31-32-30-23)37(35,36)22-10-8-20(9-11-22)25-15-19-4-6-21(7-5-19)28-18(3)34/h4-11,14-15H,12-13H2,1-3H3,(H,28,34)(H,29,30,31,32)
InChIKey
OLWPYXFFUVXZGQ-UHFFFAOYSA-N
Compound name
N-[4-[[4-[(4,6-dimethylpyrimidin-2-yl)-[2-(2H-tetrazol-5-yl)ethyl]sulfamoyl]phenyl]iminomethyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.1801 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.18738 213.6
[M+Na]+ 542.16932 225.1
[M+NH4]+ 537.21392 215.5
[M+K]+ 558.14326 221.0
[M-H]- 518.17282 217.8
[M+Na-2H]- 540.15477 223.2
[M]+ 519.17955 216.4
[M]- 519.18065 216.4
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.