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]+ 244.07504 150.5
[M+Na]+ 266.05698 156.6
[M-H]- 242.06048 153.6
[M+NH4]+ 261.10158 166.9
[M+K]+ 282.03092 153.5
[M+H-H2O]+ 226.06502 143.5
[M+HCOO]- 288.06596 170.4
[M+CH3COO]- 302.08161 195.0
[M+Na-2H]- 264.04243 154.7
[M]+ 243.06721 150.3
[M]- 243.06831 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.