CID 57123683

N-[n'-(4-aminophenyl)sulfonylcarbamimidoyl]acetamide

Structural Information

Molecular Formula
C9H12N4O3S
SMILES
CC(=O)NC(=NS(=O)(=O)C1=CC=C(C=C1)N)N
InChI
InChI=1S/C9H12N4O3S/c1-6(14)12-9(11)13-17(15,16)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H3,11,12,13,14)
InChIKey
RCXZLMANBYKPSH-UHFFFAOYSA-N
Compound name
N-[N'-(4-aminophenyl)sulfonylcarbamimidoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.06302 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.070296 153.9
[M+Na]+ 279.052238 159.7
[M-H]- 255.055744 157.9
[M+NH4]+ 274.096843 169.7
[M+K]+ 295.026178 157.1
[M+H-H2O]+ 239.060280 146.3
[M+HCOO]- 301.061221 174.7
[M+CH3COO]- 315.076871 201.0
[M+Na-2H]- 277.037686 157.0
[M]+ 256.06247142 152.2
[M]- 256.06356858 152.2
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

patents stripe