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 220.9
[M+Na]+ 542.16932 227.4
[M-H]- 518.17282 228.7
[M+NH4]+ 537.21392 220.3
[M+K]+ 558.14326 219.9
[M+H-H2O]+ 502.17736 208.5
[M+HCOO]- 564.17830 234.5
[M+CH3COO]- 578.19395 249.3
[M+Na-2H]- 540.15477 224.1
[M]+ 519.17955 224.6
[M]- 519.18065 224.6
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.