CID 9588512

109225-36-7

Structural Information

Molecular Formula
C19H20N8O3S2
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)/N=C(\N)/N/C(=N/C2=NN=C(S2)CC3=CC=CC=C3)/N
InChI
InChI=1S/C19H20N8O3S2/c1-12(28)22-14-7-9-15(10-8-14)32(29,30)27-18(21)23-17(20)24-19-26-25-16(31-19)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,22,28)(H5,20,21,23,24,26,27)
InChIKey
TXKRSBLZFFCMNR-UHFFFAOYSA-N
Compound name
N-[4-[(E)-[amino-[[(E)-N'-(5-benzyl-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

472.11 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.11728 198.5
[M+Na]+ 495.09922 203.2
[M+NH4]+ 490.14382 201.5
[M+K]+ 511.07316 199.2
[M-H]- 471.10272 203.0
[M+Na-2H]- 493.08467 205.7
[M]+ 472.10945 200.5
[M]- 472.11055 200.5
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.