CID 9588490

109193-27-3

Structural Information

Molecular Formula
C19H20N8O4S2
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)/N=C(\N)/N/C(=N/C2=NN=C(S2)C3=CC=C(C=C3)OC)/N
InChI
InChI=1S/C19H20N8O4S2/c1-11(28)22-13-5-9-15(10-6-13)33(29,30)27-18(21)23-17(20)24-19-26-25-16(32-19)12-3-7-14(31-2)8-4-12/h3-10H,1-2H3,(H,22,28)(H5,20,21,23,24,26,27)
InChIKey
PXUXMQPKDXIKIU-UHFFFAOYSA-N
Compound name
N-[4-[(E)-[amino-[[(E)-N'-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamimidoyl]amino]methylidene]amino]sulfonylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.1049 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.11218 207.9
[M+Na]+ 511.09412 211.7
[M-H]- 487.09762 216.3
[M+NH4]+ 506.13872 213.3
[M+K]+ 527.06806 206.7
[M+H-H2O]+ 471.10216 197.7
[M+HCOO]- 533.10310 223.9
[M+CH3COO]- 547.11875 248.1
[M+Na-2H]- 509.07957 211.8
[M]+ 488.10435 208.9
[M]- 488.10545 208.9
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.