CID 389698

Nsc686242

Structural Information

Molecular Formula
C18H20N6O6S
SMILES
C1=CC(=CC=C1NC(=O)CC(=O)NN)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC(=O)NN
InChI
InChI=1S/C18H20N6O6S/c19-23-17(27)9-15(25)21-11-1-5-13(6-2-11)31(29,30)14-7-3-12(4-8-14)22-16(26)10-18(28)24-20/h1-8H,9-10,19-20H2,(H,21,25)(H,22,26)(H,23,27)(H,24,28)
InChIKey
QRIYXFZYKFSAOR-UHFFFAOYSA-N
Compound name
3-hydrazinyl-N-[4-[4-[(3-hydrazinyl-3-oxopropanoyl)amino]phenyl]sulfonylphenyl]-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.11652 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.12380 197.3
[M+Na]+ 471.10574 197.8
[M-H]- 447.10924 201.8
[M+NH4]+ 466.15034 202.8
[M+K]+ 487.07968 195.7
[M+H-H2O]+ 431.11378 187.1
[M+HCOO]- 493.11472 215.8
[M+CH3COO]- 507.13037 241.3
[M+Na-2H]- 469.09119 199.3
[M]+ 448.11597 194.9
[M]- 448.11707 194.9
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.