CID 370899

Nsc644634

Structural Information

Molecular Formula
C11H13N3O4S
SMILES
C1CC(=O)N(C1C(=O)NN)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H13N3O4S/c12-13-11(16)9-6-7-10(15)14(9)19(17,18)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)
InChIKey
TWTGJAXHMXRHLZ-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-5-oxopyrrolidine-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.06268 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.06996 161.0
[M+Na]+ 306.05190 167.6
[M-H]- 282.05540 166.1
[M+NH4]+ 301.09650 176.4
[M+K]+ 322.02584 164.4
[M+H-H2O]+ 266.05994 154.0
[M+HCOO]- 328.06088 178.1
[M+CH3COO]- 342.07653 197.6
[M+Na-2H]- 304.03735 162.3
[M]+ 283.06213 159.8
[M]- 283.06323 159.8
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.