CID 40807

53531-87-6

Structural Information

Molecular Formula
C15H16N4O7S2
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C(=O)NNS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H16N4O7S2/c1-26-11-7-9-13(10-8-11)28(24,25)19-17-15(21)14(20)16-18-27(22,23)12-5-3-2-4-6-12/h2-10,18-19H,1H3,(H,16,20)(H,17,21)
InChIKey
RQEVSJIVQIOUTJ-UHFFFAOYSA-N
Compound name
1-N'-(benzenesulfonyl)-2-N'-(4-methoxyphenyl)sulfonylethanedihydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.04605 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.05333 191.3
[M+Na]+ 451.03527 193.9
[M-H]- 427.03877 196.0
[M+NH4]+ 446.07987 198.6
[M+K]+ 467.00921 189.8
[M+H-H2O]+ 411.04331 182.0
[M+HCOO]- 473.04425 205.1
[M+CH3COO]- 487.05990 226.0
[M+Na-2H]- 449.02072 198.7
[M]+ 428.04550 193.3
[M]- 428.04660 193.3
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.