CID 9588488

109193-26-2

Structural Information

Molecular Formula
C18H18N8O3S2
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)/N=C(\N)/N/C(=N/C2=NN=C(S2)C3=CC=CC=C3)/N
InChI
InChI=1S/C18H18N8O3S2/c1-11(27)21-13-7-9-14(10-8-13)31(28,29)26-17(20)22-16(19)23-18-25-24-15(30-18)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,27)(H5,19,20,22,23,25,26)
InChIKey
ZTXSCQXTTOVTHU-UHFFFAOYSA-N
Compound name
N-[4-[(E)-[amino-[[(E)-N'-(5-phenyl-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

458.09433 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.10161 194.7
[M+Na]+ 481.08355 199.6
[M+NH4]+ 476.12815 197.9
[M+K]+ 497.05749 195.8
[M-H]- 457.08705 199.2
[M+Na-2H]- 479.06900 202.1
[M]+ 458.09378 196.7
[M]- 458.09488 196.7
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.