CID 9588510

109225-34-5

Structural Information

Molecular Formula
C19H20N8O3S2
SMILES
CC1=CC=C(C=C1)C2=NN=C(S2)/N=C(\N)/N/C(=N/S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)/N
InChI
InChI=1S/C19H20N8O3S2/c1-11-3-5-13(6-4-11)16-25-26-19(31-16)24-17(20)23-18(21)27-32(29,30)15-9-7-14(8-10-15)22-12(2)28/h3-10H,1-2H3,(H,22,28)(H5,20,21,23,24,26,27)
InChIKey
NALHZLGYZDVCLD-UHFFFAOYSA-N
Compound name
N-[4-[(E)-[amino-[[(E)-N'-[5-(4-methylphenyl)-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

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.11728 200.2
[M+Na]+ 495.09922 205.3
[M+NH4]+ 490.14382 203.2
[M+K]+ 511.07316 201.4
[M-H]- 471.10272 204.8
[M+Na-2H]- 493.08467 207.1
[M]+ 472.10945 202.3
[M]- 472.11055 202.3
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.