CID 9588506

109193-52-4

Structural Information

Molecular Formula
C19H20N8O3S2
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)/N=C(\N)/N/C(=N/C2=NN=C(S2)C3=CC=CC=C3)/N)NC(=O)C
InChI
InChI=1S/C19H20N8O3S2/c1-11-10-14(8-9-15(11)22-12(2)28)32(29,30)27-18(21)23-17(20)24-19-26-25-16(31-19)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,22,28)(H5,20,21,23,24,26,27)
InChIKey
YOTXNIZFBAPTPM-UHFFFAOYSA-N
Compound name
N-[4-[(E)-[amino-[[(E)-N'-(5-phenyl-1,3,4-thiadiazol-2-yl)carbamimidoyl]amino]methylidene]amino]sulfonyl-2-methylphenyl]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 205.9
[M+Na]+ 495.09922 210.2
[M-H]- 471.10272 214.4
[M+NH4]+ 490.14382 212.2
[M+K]+ 511.07316 204.4
[M+H-H2O]+ 455.10726 195.8
[M+HCOO]- 517.10820 221.7
[M+CH3COO]- 531.12385 245.8
[M+Na-2H]- 493.08467 209.2
[M]+ 472.10945 205.7
[M]- 472.11055 205.7
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.