CID 3067699

Brn 5107520

Structural Information

Molecular Formula
C14H22N2O4S
SMILES
CC(C)COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(C)C
InChI
InChI=1S/C14H22N2O4S/c1-10(2)9-20-14(17)15-12-5-7-13(8-6-12)21(18,19)16-11(3)4/h5-8,10-11,16H,9H2,1-4H3,(H,15,17)
InChIKey
MAIQMOWAIYYANT-UHFFFAOYSA-N
Compound name
2-methylpropyl N-[4-(propan-2-ylsulfamoyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.13004 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.137316 172.2
[M+Na]+ 337.119258 176.3
[M-H]- 313.122764 175.2
[M+NH4]+ 332.163863 186.3
[M+K]+ 353.093198 174.4
[M+H-H2O]+ 297.127300 164.9
[M+HCOO]- 359.128241 188.4
[M+CH3COO]- 373.143891 208.6
[M+Na-2H]- 335.104706 172.7
[M]+ 314.12949142 175.8
[M]- 314.13058858 175.8
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

No patent data available for this compound.