CID 5338239

26092-49-9

Structural Information

Molecular Formula
C14H16N4O6S2
SMILES
C1=CC(=C(C=C1NN)S(=O)(=O)O)/C=C/C2=C(C=C(C=C2)NN)S(=O)(=O)O
InChI
InChI=1S/C14H16N4O6S2/c15-17-11-5-3-9(13(7-11)25(19,20)21)1-2-10-4-6-12(18-16)8-14(10)26(22,23)24/h1-8,17-18H,15-16H2,(H,19,20,21)(H,22,23,24)/b2-1+
InChIKey
UFBOIWPLCDSNEG-OWOJBTEDSA-N
Compound name
5-hydrazinyl-2-[(E)-2-(4-hydrazinyl-2-sulfophenyl)ethenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

400.05112 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.05840 185.0
[M+Na]+ 423.04034 190.2
[M+NH4]+ 418.08494 187.5
[M+K]+ 439.01428 185.8
[M-H]- 399.04384 185.3
[M+Na-2H]- 421.02579 188.3
[M]+ 400.05057 186.0
[M]- 400.05167 186.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe