CID 62667049

Tert-butyl n-[4-(carbamothioylmethyl)phenyl]carbamate

Structural Information

Molecular Formula
C13H18N2O2S
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)CC(=S)N
InChI
InChI=1S/C13H18N2O2S/c1-13(2,3)17-12(16)15-10-6-4-9(5-7-10)8-11(14)18/h4-7H,8H2,1-3H3,(H2,14,18)(H,15,16)
InChIKey
CWQQEZZFASCECK-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(2-amino-2-sulfanylideneethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1089 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11618 163.2
[M+Na]+ 289.09812 171.2
[M+NH4]+ 284.14272 169.6
[M+K]+ 305.07206 165.2
[M-H]- 265.10162 164.2
[M+Na-2H]- 287.08357 166.9
[M]+ 266.10835 164.8
[M]- 266.10945 164.8
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.