CID 51534

Brn 1826130

Structural Information

Molecular Formula
C16H18N2O4S
SMILES
CC(C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2)NNC(=O)OC
InChI
InChI=1S/C16H18N2O4S/c1-12(17-18-16(19)22-2)13-8-10-15(11-9-13)23(20,21)14-6-4-3-5-7-14/h3-12,17H,1-2H3,(H,18,19)
InChIKey
JRRXAWYBXVUXBV-UHFFFAOYSA-N
Compound name
methyl N-[1-[4-(benzenesulfonyl)phenyl]ethylamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.09872 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10600 174.9
[M+Na]+ 357.08794 184.6
[M+NH4]+ 352.13254 180.7
[M+K]+ 373.06188 178.2
[M-H]- 333.09144 177.7
[M+Na-2H]- 355.07339 181.9
[M]+ 334.09817 177.3
[M]- 334.09927 177.3
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.