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]+ 329.152976 176.2
[M+Na]+ 351.134918 180.1
[M-H]- 327.138424 180.6
[M+NH4]+ 346.179523 190.3
[M+K]+ 367.108858 179.4
[M+H-H2O]+ 311.142960 168.6
[M+HCOO]- 373.143901 192.5
[M+CH3COO]- 387.159551 214.9
[M+Na-2H]- 349.120366 175.7
[M]+ 328.14515142 181.5
[M]- 328.14624858 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.