CID 9579056

Nsc683757

Structural Information

Molecular Formula
C15H18N4O8S
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)NC(=O)N2)S(=O)(=O)N/N=C/C(C(C(CO)O)O)O
InChI
InChI=1S/C15H18N4O8S/c20-7-12(22)13(23)11(21)6-16-19-28(26,27)9-3-1-8(2-4-9)5-10-14(24)18-15(25)17-10/h1-6,11-13,19-23H,7H2,(H2,17,18,24,25)/b10-5-,16-6+
InChIKey
NOQUXNGPYJBCQT-IHGRDSKKSA-N
Compound name
4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-N-[(E)-2,3,4,5-tetrahydroxypentylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.08453 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.09181 187.8
[M+Na]+ 437.07375 189.3
[M-H]- 413.07725 184.8
[M+NH4]+ 432.11835 192.5
[M+K]+ 453.04769 185.1
[M+H-H2O]+ 397.08179 180.8
[M+HCOO]- 459.08273 194.5
[M+CH3COO]- 473.09838 213.7
[M+Na-2H]- 435.05920 185.9
[M]+ 414.08398 183.7
[M]- 414.08508 183.7
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.