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]+ 227.059716 143.7
[M+Na]+ 249.041658 149.8
[M-H]- 225.045164 151.3
[M+NH4]+ 244.086263 162.1
[M+K]+ 265.015598 143.9
[M+H-H2O]+ 209.049700 140.3
[M+HCOO]- 271.050641 170.2
[M+CH3COO]- 285.066291 192.8
[M+Na-2H]- 247.027106 153.6
[M]+ 226.05189142 143.7
[M]- 226.05298858 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