CID 214667

Sulfamoyl azide, methyl(phenylmethyl)-

Structural Information

Molecular Formula
C8H10N4O2S
SMILES
CN(CC1=CC=CC=C1)S(=O)(=O)N=[N+]=[N-]
InChI
InChI=1S/C8H10N4O2S/c1-12(15(13,14)11-10-9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
MABSBDRDVOUWHO-UHFFFAOYSA-N
Compound name
[azidosulfonyl(methyl)amino]methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

226.05244 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05972 143.7
[M+Na]+ 249.04166 149.8
[M-H]- 225.04516 151.3
[M+NH4]+ 244.08626 162.1
[M+K]+ 265.01560 143.9
[M+H-H2O]+ 209.04970 140.3
[M+HCOO]- 271.05064 170.2
[M+CH3COO]- 285.06629 192.8
[M+Na-2H]- 247.02711 153.6
[M]+ 226.05189 143.7
[M]- 226.05299 143.7
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