CID 3067700

Brn 5107457

Structural Information

Molecular Formula
C15H24N2O4S
SMILES
CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C(C)C)C(C)C
InChI
InChI=1S/C15H24N2O4S/c1-6-21-15(18)16-13-7-9-14(10-8-13)22(19,20)17(11(2)3)12(4)5/h7-12H,6H2,1-5H3,(H,16,18)
InChIKey
VHUCHXXRSPIICR-UHFFFAOYSA-N
Compound name
ethyl N-[4-[di(propan-2-yl)sulfamoyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1457 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.15298 176.2
[M+Na]+ 351.13492 180.1
[M-H]- 327.13842 180.6
[M+NH4]+ 346.17952 190.3
[M+K]+ 367.10886 179.4
[M+H-H2O]+ 311.14296 168.6
[M+HCOO]- 373.14390 192.5
[M+CH3COO]- 387.15955 214.9
[M+Na-2H]- 349.12037 175.7
[M]+ 328.14515 181.5
[M]- 328.14625 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

No patent data available for this compound.