CID 9579055

Nsc683755

Structural Information

Molecular Formula
C17H22N4O9S
SMILES
CN1C(=O)/C(=C/C2=CC=C(C=C2)S(=O)(=O)N/N=C/C(C(C(C(CO)O)O)O)O)/NC1=O
InChI
InChI=1S/C17H22N4O9S/c1-21-16(27)11(19-17(21)28)6-9-2-4-10(5-3-9)31(29,30)20-18-7-12(23)14(25)15(26)13(24)8-22/h2-7,12-15,20,22-26H,8H2,1H3,(H,19,28)/b11-6-,18-7+
InChIKey
PACJEKLQHDYZPF-WPCBHMABSA-N
Compound name
4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-N-[(E)-2,3,4,5,6-pentahydroxyhexylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.11075 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.11803 197.4
[M+Na]+ 481.09997 197.9
[M-H]- 457.10347 194.4
[M+NH4]+ 476.14457 200.3
[M+K]+ 497.07391 195.1
[M+H-H2O]+ 441.10801 190.5
[M+HCOO]- 503.10895 202.5
[M+CH3COO]- 517.12460 224.5
[M+Na-2H]- 479.08542 193.7
[M]+ 458.11020 195.2
[M]- 458.11130 195.2
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.