CID 45117536

N-(2-methylphenyl)sulfuric diamide

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CC1=CC=CC=C1NS(=O)(=O)N
InChI
InChI=1S/C7H10N2O2S/c1-6-4-2-3-5-7(6)9-12(8,10)11/h2-5,9H,1H3,(H2,8,10,11)
InChIKey
AMQRFTVZDJTBEQ-UHFFFAOYSA-N
Compound name
1-methyl-2-(sulfamoylamino)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

186.0463 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05358 135.7
[M+Na]+ 209.03552 144.0
[M-H]- 185.03902 139.4
[M+NH4]+ 204.08012 155.2
[M+K]+ 225.00946 140.9
[M+H-H2O]+ 169.04356 129.9
[M+HCOO]- 231.04450 156.1
[M+CH3COO]- 245.06015 182.1
[M+Na-2H]- 207.02097 141.3
[M]+ 186.04575 135.7
[M]- 186.04685 135.7
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

patents stripe