CID 736887

74738-71-9

Structural Information

Molecular Formula
C9H13N3O3S
SMILES
CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)NN
InChI
InChI=1S/C9H13N3O3S/c1-7(13)11-6-8-2-4-9(5-3-8)16(14,15)12-10/h2-5,12H,6,10H2,1H3,(H,11,13)
InChIKey
CGRYPTWFPIABOI-UHFFFAOYSA-N
Compound name
N-[[4-(hydrazinesulfonyl)phenyl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

243.06776 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.075036 150.5
[M+Na]+ 266.056978 156.6
[M-H]- 242.060484 153.6
[M+NH4]+ 261.101583 166.9
[M+K]+ 282.030918 153.5
[M+H-H2O]+ 226.065020 143.5
[M+HCOO]- 288.065961 170.4
[M+CH3COO]- 302.081611 195.0
[M+Na-2H]- 264.042426 154.7
[M]+ 243.06721142 150.3
[M]- 243.06830858 150.3
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

No patent data available for this compound.