CID 9571511

Nitroso toluenesulphonylguanidine

Structural Information

Molecular Formula
C9H12N4O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)/N=C(\N)/N(C)N=O
InChI
InChI=1S/C9H12N4O3S/c1-7-3-5-8(6-4-7)17(15,16)11-9(10)13(2)12-14/h3-6H,1-2H3,(H2,10,11)
InChIKey
DZZBAEAONUJMBD-UHFFFAOYSA-N
Compound name
1-methyl-2-(4-methylphenyl)sulfonyl-1-nitrosoguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.06302 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07030 153.7
[M+Na]+ 279.05224 160.3
[M-H]- 255.05574 161.1
[M+NH4]+ 274.09684 171.2
[M+K]+ 295.02618 159.8
[M+H-H2O]+ 239.06028 145.6
[M+HCOO]- 301.06122 178.1
[M+CH3COO]- 315.07687 206.8
[M+Na-2H]- 277.03769 158.7
[M]+ 256.06247 156.9
[M]- 256.06357 156.9
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.