CID 14371344

Dtxsid50888855

Structural Information

Molecular Formula
C15H15N3O5S
SMILES
CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)OC2=CC=CC=C2
InChI
InChI=1S/C15H15N3O5S/c1-18(2)14(19)12-9-6-10-16-13(12)24(21,22)17-15(20)23-11-7-4-3-5-8-11/h3-10H,1-2H3,(H,17,20)
InChIKey
NHNQLTZFUJPTCB-UHFFFAOYSA-N
Compound name
phenyl N-[3-(dimethylcarbamoyl)pyridin-2-yl]sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

349.07324 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.08052 177.1
[M+Na]+ 372.06246 182.8
[M-H]- 348.06596 183.9
[M+NH4]+ 367.10706 188.5
[M+K]+ 388.03640 180.9
[M+H-H2O]+ 332.07050 168.1
[M+HCOO]- 394.07144 195.3
[M+CH3COO]- 408.08709 213.3
[M+Na-2H]- 370.04791 181.0
[M]+ 349.07269 181.5
[M]- 349.07379 181.5
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