CID 6450624

(e)-2-butenedioic acid mono(2-((4-(aminosulfonyl)phenyl)sulfonyl)hydrazide)

Structural Information

Molecular Formula
C11H11N3O9S2
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)C(=O)NN)S(=O)(=O)/C(=C/C(=O)O)/C(=O)O
InChI
InChI=1S/C11H11N3O9S2/c12-14-10(17)6-3-5(25(13,22)23)1-2-7(6)24(20,21)8(11(18)19)4-9(15)16/h1-4H,12H2,(H,14,17)(H,15,16)(H,18,19)(H2,13,22,23)/b8-4+
InChIKey
ISICEPYAKYOGKF-XBXARRHUSA-N
Compound name
(E)-2-[2-(hydrazinecarbonyl)-4-sulfamoylphenyl]sulfonylbut-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.99368 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.00096 178.9
[M+Na]+ 415.98290 179.5
[M+NH4]+ 411.02750 178.1
[M+K]+ 431.95684 180.2
[M-H]- 391.98640 172.9
[M+Na-2H]- 413.96835 177.1
[M]+ 392.99313 177.0
[M]- 392.99423 177.0
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.