CID 14371344

112006-94-7

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
1
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 175.1
[M+Na]+ 372.06246 184.5
[M+NH4]+ 367.10706 179.7
[M+K]+ 388.03640 179.7
[M-H]- 348.06596 176.7
[M+Na-2H]- 370.04791 181.8
[M]+ 349.07269 176.9
[M]- 349.07379 176.9
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

patents stripe